SCHEMBL21523874

SCHEMBL21523874

CCCCCCCCCCCCCCCCCCOc1ccc(C2=C3C=CC(=N3)C=C3C=CC(=N3)C(c3ccc(OCCCCCCCCCCCCCCCCCC)cc3)=C3C=CC(=N3)C=C3C=CC2=N3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.40
▸ NR5A1 Q13285 1/20 0.40
▸ CYP2D6 P10635 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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 SCHEMBL27856205 0.98 RARB (0.38) RARBNR5A1CYP2D6CYP3A4KDM4E
SCHEMBL585095 0.95 RARB (0.36) RARBNR5A1CYP2D6CYP3A4KDM4E
SCHEMBL28713240 0.88 PLA2G2A (0.36) NR5A1TSHR
SCHEMBL585087 0.86 — —
SCHEMBL2331145 0.85 CHRNA7 (0.39) CYP2D6KDM4EALDH1A1HPGDTP53
SCHEMBL2327446 0.85 CHRNB4 (0.30) CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL5180957 0.85 PTPN1 (0.33) RARBCYP2D6CYP3A4LTA4HCYP1A2
SCHEMBL2200672 0.85 HTR1A (0.31) RARBHTR1B
Hydrochloric Acid SCHEMBL584372 0.84 CHRNA7 (0.38) CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL29089950 0.84 ATP4A (0.40) KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11867596-B2 Chemical sensors with non-covalent, electrostatic surface modification of graphene REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-01-09 — — US disclosed
EP-3785025-B1 CHEMICAL GRAPHENE VARACTOR-BASED SENSORS WITH SUBSTITUTED PORPHYRIN FUNCTIONALIZATION AND CORRESPONDING METHODS UNIV MINNESOTA (US) 2023-09-06 — — EP disclosed
US-20220291198-A1 CHEMICAL SENSORS WITH NON-COVALENT, ELECTROSTATIC SURFACE MODIFICATION OF GRAPHENE REGENTS OF THE UNIVERSITY OF MINNESOTA 2022-09-15 — — US disclosed
US-11293914-B2 Chemical sensors with non-covalent, electrostatic surface modification of graphene BOSTON SCIENTIFIC SCIMED, INC. (US) 2022-04-05 — — US disclosed
EP-3785025-A1 CHEMICAL VARACTOR-BASED SENSORS WITH NON-COVALENT, ELECTROSTATIC SURFACE MODIFICATION OF GRAPHENE Regents of the University of Minnesota (US) 2021-03-03 — — EP disclosed
US-20190331661-A1 CHEMICAL SENSORS WITH NON-COVALENT, ELECTROSTATIC SURFACE MODIFICATION OF GRAPHENE REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 — — US disclosed
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