SCHEMBL7995708

SCHEMBL7995708

CN(C)c1cc[n+](C#N)cc1.CN(C)c1cc[n+](C#N)cc1.[O-]B([O-])F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 7/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ MAPT P10636 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ BRCA1 P38398 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HBB P68871 1/20 0.33
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 1/20 0.31
▸ TP53 P04637 1/20 0.30

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
SCHEMBL3630115 1.00 CHKA (0.36) CHKAALDH1A1MAPTTSHRALOX15
SCHEMBL1185633 0.89 CHKA (0.36) CHKAALDH1A1MAPTTSHRALOX15
SCHEMBL1063959 0.88 ALDH1A1 (0.46) CHKAALDH1A1MAPTTSHRALOX15
Bromide SCHEMBL384556 0.86 CHKA (0.47) CHKAALDH1A1MAPTTSHRALOX15
Hydrochloric Acid SCHEMBL29199774 0.86 ALDH1A1 (0.43) CHKAALDH1A1MAPTTSHRALOX15
SCHEMBL161677 0.85 ALDH1A1 (0.39) CHKAALDH1A1MAPTTSHRALOX15
SCHEMBL4531332 0.85 ALDH1A1 (0.39) CHKAALDH1A1MAPTTSHRALOX15
Acetonitrile SCHEMBL28221268 0.81 CHKA (0.36) CHKAALDH1A1MAPTTSHRALOX15
SCHEMBL1185630 0.79 CHKA (0.41) CHKAALDH1A1MAPTTSHRALOX15
Trifluoromethanesulfonic Acid SCHEMBL4459808 0.78 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6287806-B1 CULTURING TRANSFORMANT WHICH EXPRESSES A FUSION PROTEIN HAVING CYSTEINE AT N-TERMINAL AND CYSTEINE-FREE PEPTIDE LIGATED TO N-TERMINAL, CLEAVING PEPTIDE AT AMINO GROUP SIDE OF CYSTEINE BY CYANYLATION AND THEN HYDROLYSIS OR AMINOLYSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-09-11 — — US disclosed
US-5861284-A CULTIVATING A TRANSFORMANT HAVING A VECTOR CARRYING A GENE CODING HUMAN PARATHYROID HORMONE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-01-19 — — US disclosed
US-5856138-A DERIVATIVES USEFUL AS HORMONE REMEDIES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-01-05 — — US disclosed
EP-0528271-B1 Human parathyroid hormone muteins and production thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-04-23 — — EP disclosed
EP-0499990-B1 Method for producing cysteine-free peptides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-05-15 — — EP disclosed
EP-0528271-A1 Human parathyroid hormone muteins and production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 — — EP disclosed
EP-0499990-A2 Method for producing cysteine-free peptides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-26 — — EP disclosed
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