SCHEMBL9501945

SCHEMBL9501945

CC1(Cc2ccc(S(=O)(=O)NC(Cc3ccccc3)c3ccccc3)cc2)N=c2ccccc2=N1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
S1PR1 P21453 11/20 0.43
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
MMP2 P08253 5/20 0.40
MMP9 P14780 4/20 0.40
ADAMTS4 O75173 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL9502675 0.87 CA2 (0.51) ALDH1A1CA2CA7MMP2MMP9
SCHEMBL9299658 0.86 DUT (0.48) ALDH1A1ATML3MBTL1CA2CA7
SCHEMBL9501062 0.80 GBA1 (0.44) ALDH1A1ATML3MBTL1MAPT
SCHEMBL9502208 0.80 ALDH1A1 (0.64) ALDH1A1L3MBTL1CA2MMP2MMP9
SCHEMBL9502025 0.79 ALDH1A1 (0.47) ALDH1A1L3MBTL1CA2MMP2MMP9
SCHEMBL9503647 0.78 LMNA (0.48) ALDH1A1CA2MAPT
SCHEMBL30801085 0.78 CA2 (0.63) ALDH1A1ATML3MBTL1S1PR1CA2
SCHEMBL16300320 0.78 CA2 (0.63) ALDH1A1ATML3MBTL1S1PR1CA2
SCHEMBL8566023 0.76 ALDH1A1 (0.53) ALDH1A1ATML3MBTL1S1PR1CA2
SCHEMBL8134454 0.75 GAA (0.47) MMP2MMP9ADAMTS4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992003422-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO claimed
EP-0543861-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-06-02 EP disclosed
US-5180723-A Hypertensives, bronchodilators, antiedemic agents BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-01-19 US disclosed
WO-1992003422-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO disclosed