SCHEMBL11407592

SCHEMBL11407592

O=C(COc1ccc(Cc2ncc[nH]2)cc1)Nc1ncccn1.O=C(COc1ccc(Cc2ncc[nH]2)cc1)Nc1nccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.57
▸ RAB9A P51151 11/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ TP53 P04637 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ THRB P10828 1/20 0.57
▸ PKM P14618 3/20 0.55
▸ CDK5 Q00535 1/20 0.55
▸ CDK5R1 Q15078 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GAA P10253 1/20 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
SCHEMBL11208093 0.94 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL11207092 0.90 GAA (0.59) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL11213148 0.78 RAB9A (0.52) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL10947493 0.76 TAAR1 (0.49) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL7470030 0.74 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL5443581 0.73 NPC1 (0.77) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL11206271 0.73 ALPL (0.46) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL15330952 0.73 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL2683107 0.72 NPC1 (0.76) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3409592 0.72 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0035863-A1 Imidazole derivatives, process for their preparation and pharmaceutical compositions thereof Pfizer Limited (GB) 1981-09-16 — — EP claimed
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