SCHEMBL9302841

SCHEMBL9302841

Cc1nc2ccccc2n1Cc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.59
TNF P01375 1/20 0.58
PTAFR P25105 1/20 0.57
GALR3 O60755 2/20 0.52
NR2F2 P24468 2/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TAS2R14 Q9NYV8 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
BACE1 P56817 1/20 0.46
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL9302639 0.85 PTAFR (0.64) TNFPTAFRGALR3NR2F2RAB9A
SCHEMBL9303788 0.83 TNF (0.61) CNR2TNFPTAFRGALR3NR2F2
SCHEMBL9302593 0.81 PTAFR (0.62) TNFPTAFRGALR3NR2F2RAB9A
SCHEMBL9302023 0.79 PTAFR (0.66) TNFPTAFRGALR3NR2F2RAB9A
SCHEMBL9302294 0.79 GALR3 (0.67) TNFPTAFRGALR3NR2F2RAB9A
SCHEMBL9302731 0.78 GALR3 (0.68) TNFPTAFRGALR3NR2F2RAB9A
SCHEMBL9299436 0.78 PTAFR (0.58) TNFPTAFRGALR3NR2F2RAB9A
SCHEMBL9299088 0.77 PTAFR (0.62) TNFPTAFRGALR3NR2F2RAB9A
SCHEMBL231295 0.76 TNF (1.00) TNFGALR3NR2F2RAB9AMEN1
SCHEMBL9300543 0.76 TNF (0.67) TNFPTAFRGALR3NR2F2RAB9A

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