SCHEMBL1063959

SCHEMBL1063959

CN(C)c1cc[n+](C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.46
▸ TSHR P16473 3/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CHKA P35790 8/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP3A4 P08684 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CHRM5 P08912 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL29199774 0.98 ALDH1A1 (0.43) ALDH1A1TSHRALOX15HSD17B10CHKA
Bromide SCHEMBL384556 0.98 CHKA (0.47) ALDH1A1TSHRALOX15HSD17B10CHKA
SCHEMBL161677 0.92 ALDH1A1 (0.39) ALDH1A1TSHRALOX15HSD17B10CHKA
SCHEMBL4531332 0.92 ALDH1A1 (0.39) ALDH1A1TSHRALOX15HSD17B10CHKA
SCHEMBL1185630 0.90 CHKA (0.41) ALDH1A1TSHRALOX15HSD17B10CHKA
SCHEMBL7995708 0.88 CHKA (0.36) ALDH1A1TSHRALOX15HSD17B10CHKA
Acetonitrile SCHEMBL28221268 0.88 CHKA (0.36) ALDH1A1TSHRALOX15HSD17B10CHKA
SCHEMBL3630115 0.88 CHKA (0.36) ALDH1A1TSHRALOX15HSD17B10CHKA
SCHEMBL1185633 0.88 CHKA (0.36) ALDH1A1TSHRALOX15HSD17B10CHKA
Trifluoromethanesulfonic Acid SCHEMBL4459808 0.81 NSD2 (0.37) ALDH1A1TSHRALOX15HSD17B10KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 152 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3927685-B1 A PROCESS FOR THE SYNTHESIS ANTHRANILIC DIAMIDE COMPOUNDS AND INTERMEDIATES THEREOF PI INDUSTRIES LTD (IN) 2025-10-08 — — EP claimed
EP-3503917-B1 MULTIVALENT VACCINE COMPOSITION SERUM INSTITUTE OF INDIA PVT LTD (IN) 2024-07-03 — — EP claimed
EP-3530285-B1 METHOD FOR PRODUCING HIB CONJUGATE VACCINE USING PRP WITH
LOWERED MOLECULAR WEIGHT KM BIOLOGICS CO LTD (JP) 2023-08-09 — — EP claimed
WO-2023069278-A1 CHEMICAL REAGENTS FOR THE ACTIVATION OF POLYSACCHARIDES IN THE PREPARATION OF CONJUGATE VACCINES FINA BIOSOLUTIONS, LLC (US) 2023-04-27 — — WO claimed
US-20230122876-A1 Chemical Reagents for the Activation of Polysaccharides in the Preparation of Conjugate Vaccines FINA BIOSOLUTIONS, LLC (US) 2023-04-20 — — US claimed
US-20220257753-A1 Vaccine Adjuvants for Antigen Delivery SUBHADRA BOBBAN (US) 2022-08-18 — — US claimed
EP-3923982-A1 NEISSERIA MENINGITIDISCOMPOSITIONS AND METHODS THEREOF Pfizer Inc. (US) 2021-12-22 — — EP claimed
EP-2706991-B1 MULTIPLE ANTIGEN PRESENTING IMMUNOGENIC COMPOSITION, AND METHODS AND USES THEREOF CHILDRENS MEDICAL CENTER (US) 2021-03-24 — — EP claimed
WO-2020165711-A1 NEISSERIA MENINGITIDISCOMPOSITIONS AND METHODS THEREOF PFIZER INC. (US) 2020-08-20 — — WO claimed
US-9448241-B2 Mass spectrometry method for a polypeptide including a cysteine residue CANON KABUSHIKI KAISHA (JP) 2016-09-20 — — US claimed
EP-1858551-A2 COMBINATION VACCINES WITH WHOLE CELL PERTUSSIS ANTIGEN Novartis Vaccines and Diagnostics S.r.l. (IT) 2007-11-28 — — EP claimed
EP-1069909-B1 CONJUGATE VACCINES FOR THE PREVENTION OF DENTAL CARIES LEES ANDREW (US) 2007-06-13 — — EP claimed
WO-2006097851-A2 COMBINATION VACCINES WITH WHOLE CELL PERTUSSIS ANTIGEN NOVARTIS VACCINES AND DIAGNOSTICS SRL (IT) 2006-09-21 — — WO claimed
EP-1272530-B1 CLATHRATE COMPLEXES FORMED BY HYALURONIC ACID DERIVATIVES AND USE THEREOF AS PHARMACEUTICALS FIDIA FARMACEUTICI (IT) 2006-09-20 — — EP claimed
US-20040185525-A1 Process for producing peptide SHIMADZU CORPORATION (JP) 2004-09-23 — — US claimed
EP-1391518-A1 PROCESS FOR PRODUCING PEPTIDE Takeda Chemical Industries, Ltd. (JP) 2004-02-25 — — EP claimed
EP-0814833-B1 PRODUCING IMMUNOGENIC CONSTRUCTS USING SOLUBLE CARBOHYDRATES ACTIVATED VIA ORGANIC CYANYLATING REAGENTS JACKSON H M FOUND MILITARY MED (US) 2003-05-28 — — EP claimed
EP-0506431-B1 Modified enzyme WAKO PURE CHEM IND LTD (JP) 1998-01-28 — — EP claimed
EP-0222380-B1 METHOD FOR STABILIZING CREATINE KINASE Roche Diagnostics GmbH (DE) 1993-03-17 — — EP claimed
EP-0506431-A1 Modified enzyme WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1992-09-30 — — EP claimed
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