SCHEMBL9509632

SCHEMBL9509632

CCN(Cc1ccncc1)C(=O)CCSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
USP2 O75604 2/20 0.45
LMNA P02545 6/20 0.43
GFER P55789 1/20 0.43
RECQL P46063 1/20 0.42
TSHR P16473 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
MAPT P10636 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL9510305 0.84 ALDH1A1 (0.51) ALDH1A1USP2LMNAGFERTSHR
SCHEMBL9509233 0.81 ALDH1A1 (0.53) ALDH1A1USP2LMNAGFERTSHR
SCHEMBL9509209 0.80 GAA (0.36) ALDH1A1LMNATSHRCYP2C9CYP2C19
SCHEMBL417273 0.75 ALDH1A1 (0.53) ALDH1A1USP2LMNAGFERTSHR
SCHEMBL9512549 0.73 ALDH1A1 (0.65) ALDH1A1USP2LMNAGFERTSHR
SCHEMBL9509754 0.72 KMT2A (0.53) ALDH1A1LMNATSHRMEN1MAPT
SCHEMBL9510270 0.72 HPN (0.44) ALDH1A1LMNARECQLTSHRMAPT
SCHEMBL9483866 0.72 MEN1 (0.46) ALDH1A1LMNARECQLMEN1MAPT
SCHEMBL9550708 0.70 HPN (0.47) ALDH1A1LMNARECQLMAPTKMT2A
SCHEMBL8309788 0.70 VCAM1 (0.55) ALDH1A1LMNARECQLMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372409-B1 Acylaminoalkylpyridineamides as inhibitors of tumor metastasis SEARLE & CO (US) 1993-10-27 EP claimed
EP-0190683-B1 NOVEL AMINOALKYLPYRDINEAMIDES G.D. Searle & Co. (US) 1992-09-16 EP claimed
US-5030642-A Antitumor agents G. D. SEARLE & CO. (US) 1991-07-09 US claimed
EP-0372409-A2 Acylaminoalkylpyridineamides as inhibitors of tumor metastasis G.D. Searle & Co. (US) 1990-06-13 EP claimed
EP-0372409-B1 Acylaminoalkylpyridineamides as inhibitors of tumor metastasis SEARLE & CO (US) 1993-10-27 EP disclosed
EP-0190683-B1 NOVEL AMINOALKYLPYRDINEAMIDES G.D. Searle & Co. (US) 1992-09-16 EP disclosed
US-5030642-A Antitumor agents G. D. SEARLE & CO. (US) 1991-07-09 US disclosed
EP-0372409-A2 Acylaminoalkylpyridineamides as inhibitors of tumor metastasis G.D. Searle & Co. (US) 1990-06-13 EP disclosed
US-4663333-A Acylaminoalkylpyridines ad use in treatment of inflammation and allergy reactions G. D. SEARLE & CO. (US) 1987-05-05 US disclosed
EP-0190683-A2 Novel aminoalkylpyrdineamides G.D. Searle & Co. (US) 1986-08-13 EP disclosed