SCHEMBL9303752

SCHEMBL9303752

CC1(Cc2ccc(S(=O)(=O)NC3CCCCC3)cc2)Nc2ccccc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 6/20 0.53
CYP3A4 P08684 3/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
MGAT2 Q10469 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PAX8 Q06710 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48

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
SCHEMBL9673430 0.80 SMN1; SMN2 (0.52) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL9302515 0.78 ALDH1A1 (0.44) SMN1; SMN2KDM4EALDH1A1CYP3A4TSHR
SCHEMBL9302837 0.77 ALDH1A1 (0.59) SMN1; SMN2KDM4EALDH1A1TSHRLMNA
SCHEMBL12188930 0.76 SMN1; SMN2 (0.71) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL9303870 0.74 CA2 (0.47) SMN1; SMN2KDM4E
SCHEMBL12189228 0.74 SMN1; SMN2 (0.73) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL11707518 0.73 SMN1; SMN2 (0.78) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL812698 0.73 SMN1; SMN2 (0.78) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL8396710 0.73 SMN1; SMN2 (0.78) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4
SCHEMBL20946378 0.73 SMN1; SMN2 (0.71) SMN1; SMN2KDM4ERECQLALDH1A1CYP3A4

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
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP claimed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO claimed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed