SCHEMBL9501062

SCHEMBL9501062

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.44
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 8/20 0.41
TP53 P04637 6/20 0.41
PARP1 P09874 1/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
XBP1 P17861 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
ATM Q13315 2/20 0.39
GAA P10253 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 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
SCHEMBL9503647 0.88 LMNA (0.48) ALDH1A1NPSR1HTTMAPTTP53
SCHEMBL9299658 0.84 DUT (0.48) ALDH1A1NPSR1SMN1; SMN2CYP1A2ATM
SCHEMBL8137542 0.81 MMP1 (0.55) ALDH1A1MAPTKMT2ASMN1; SMN2GAA
SCHEMBL9501945 0.80 ALDH1A1 (0.47) ALDH1A1MAPTATML3MBTL1
SCHEMBL9502675 0.78 CA2 (0.51) ALDH1A1MAPTKMT2ACYP1A2CYP2C9
SCHEMBL9502208 0.75 ALDH1A1 (0.64) ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9502025 0.75 ALDH1A1 (0.47) ALDH1A1NPSR1HTTKMT2AMEN1
SCHEMBL9670882 0.74 CA2 (0.48) MAPTSMN1; SMN2CA12CA9
SCHEMBL8134454 0.73 GAA (0.47) MAPTGAA
SCHEMBL9673430 0.72 SMN1; SMN2 (0.52) ALDH1A1NPSR1HTTKMT2AMEN1

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