SCHEMBL9302028

SCHEMBL9302028

CN(c1ccccc1)S(=O)(=O)c1ccc(CC2(C)Nc3ccccc3N2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
LIMK2 P53671 1/20 0.47
TSHR P16473 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MCHR1 Q99705 1/20 0.44
NR1H3 Q13133 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
PGR P06401 2/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
FFAR1 O14842 1/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL9303789 0.84 ESR1 (0.56) MEN1KMT2AMAPTLMNAHTT
SCHEMBL9302642 0.83 ALDH1A1 (0.54) MEN1KMT2ANR1H3MAPTLMNA
SCHEMBL9302598 0.82 NR1H3 (0.50) MEN1KMT2ANR1H3MAPTLMNA
SCHEMBL9302737 0.78 CXCR4 (0.46) TSHRMEN1KMT2ANR1H3MAPT
SCHEMBL9302837 0.78 ALDH1A1 (0.59) TSHRMEN1KMT2AMAPTLMNA
SCHEMBL9302302 0.78 CXCR4 (0.48) TSHRMEN1KMT2ANR1H3MAPT
SCHEMBL9303870 0.77 CA2 (0.47) CA12CA9MAPTSMN1; SMN2
SCHEMBL9302843 0.77 CNR2 (0.62) CA12CA9TSHRMEN1KMT2A
SCHEMBL9302515 0.76 ALDH1A1 (0.44) TSHRMEN1KMT2ALMNAHTT
SCHEMBL9303191 0.76 CNR2 (0.43) MEN1KMT2ALMNASMN1; SMN2ALDH1A1

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