SCHEMBL9299658

SCHEMBL9299658

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.48
ALDH1A1 P00352 5/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 1/20 0.38
MMP2 P08253 4/20 0.38
MMP9 P14780 3/20 0.38
POLB P06746 2/20 0.38
MMP7 P09237 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 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
SCHEMBL9501945 0.86 ALDH1A1 (0.47) ALDH1A1ATML3MBTL1MMP2MMP9
SCHEMBL9502675 0.84 CA2 (0.51) ALDH1A1MMP2MMP9POLBMMP7
SCHEMBL9501062 0.84 GBA1 (0.44) ALDH1A1ATML3MBTL1CYP1A2CYP2C9
SCHEMBL9502208 0.81 ALDH1A1 (0.64) ALDH1A1L3MBTL1MMP2MMP9POLB
SCHEMBL9502025 0.81 ALDH1A1 (0.47) ALDH1A1L3MBTL1MMP2MMP9POLB
SCHEMBL8134454 0.79 GAA (0.47) MMP2MMP9MMP7MMP13
SCHEMBL8560865 0.78 SMN1; SMN2 (0.49) ALDH1A1L3MBTL1MMP2MMP9POLB
SCHEMBL8137542 0.78 MMP1 (0.55) ALDH1A1MMP2MMP9MMP7MMP13
SCHEMBL8134055 0.77 MMP2 (0.43) L3MBTL1MMP2MMP9MMP7MMP13
SCHEMBL9670882 0.76 CA2 (0.48) SMN1; SMN2CA2CA7

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 5 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
US-5276153-A Antagonist of platelet activating factor for bronchodilation BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-01-04 US disclosed
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