SCHEMBL9302149

SCHEMBL9302149

CN(C(=O)c1ccc(CCSc2nc3ccccc3[nH]2)cc1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.55
PTAFR P25105 1/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 3/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL9302077 0.94 AR (0.55) ARPTAFRMEN1KMT2APOLB
SCHEMBL9301665 0.89 AR (0.53) ARMEN1KMT2APOLBAPEX1
SCHEMBL9302033 0.82 HPGD (0.60) PTAFRMEN1KMT2APOLBSMN1; SMN2
SCHEMBL9302594 0.81 AR (0.55) ARPTAFRMEN1KMT2APOLB
SCHEMBL9302140 0.80 SMN1; SMN2 (0.47) PTAFRMEN1KMT2APOLBAPEX1
SCHEMBL9302074 0.79 PTAFR (0.46) PTAFRMEN1KMT2APOLBAPEX1
SCHEMBL9302162 0.79 SMN1; SMN2 (0.47) PTAFRMEN1KMT2APOLBAPEX1
SCHEMBL9302215 0.78 PTAFR (0.44) PTAFRMEN1KMT2APOLBAPEX1
SCHEMBL9303110 0.77 PTAFR (0.52) PTAFRMEN1KMT2APOLBSMN1; SMN2
SCHEMBL9302224 0.77 PTAFR (0.52) PTAFRMEN1KMT2APOLBSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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