SCHEMBL9302429

SCHEMBL9302429

COc1cc(NS(=O)(=O)c2ccc(CC3(C)Nc4ccccc4N3)cc2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 3/20 0.42
PKM P14618 2/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
HTR6 P50406 1/20 0.39
FAM20C Q8IXL6 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP19A1 P11511 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
SCHEMBL9302410 0.89 LMNA (0.56) TP53MAPTMEN1KMT2AHTT
SCHEMBL9303638 0.78 SMN1; SMN2 (0.52) MAPTHTTSMN1; SMN2LMNAPKM
SCHEMBL9303510 0.78 ALOX15 (0.53) TP53MAPTTHRBMEN1KMT2A
SCHEMBL9302374 0.77 CACNA1B (0.53) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6073370 0.77 CA12 (0.59) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL9302425 0.74 ITGA1 (0.58) MAPTMEN1KMT2AALDH1A1NAMPT
SCHEMBL6048148 0.73 CYP19A1 (0.65) HTTSMN1; SMN2LMNAPKMMAPK1
SCHEMBL28864522 0.73 LMNA (0.68) TP53MAPTTHRBMEN1KMT2A
SCHEMBL6350411 0.72 HTR6 (0.65) TP53MAPTTHRBKMT2AHTT
SCHEMBL5280989 0.72 LMNA (0.55) TP53MAPTTHRBMEN1KMT2A

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-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