SCHEMBL9312919

SCHEMBL9312919

CC1(C)CC(=O)Nc2cc(NC(=O)NCCc3ccccc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CNR1 P21554 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
EPHX1 P07099 1/20 0.49
MAPT P10636 1/20 0.49
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 2/20 0.48
PRMT3 O60678 1/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 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
SCHEMBL9312900 0.94 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2CNR1MEN1
SCHEMBL9312287 0.88 FPR2 (0.54) NPC1RAB9ASMN1; SMN2CNR1MEN1
SCHEMBL9866132 0.84 NPC1 (0.52) NPC1RAB9ASMN1; SMN2CNR1MEN1
SCHEMBL9314396 0.79 RARB (0.54) MEN1KMT2AMAPTHDAC1HDAC2
SCHEMBL9313889 0.79 NPC1 (0.51) NPC1RAB9ASMN1; SMN2CNR1MEN1
SCHEMBL3150642 0.76 HDAC3 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL31714495 0.76 HDAC3 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9314224 0.74 RAB9A (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9312531 0.74 CNR1 (0.45) NPC1RAB9ASMN1; SMN2CNR1MEN1
SCHEMBL9313377 0.74 MAPT (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5373019-A Pharmaceutical lactam compositions for inhibition of erythrocyte and thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1994-12-13 US disclosed
US-4985448-A Ureidoindoles, pharmaceutical compositions and methods for erythrocyte and thrombocyte aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1991-01-15 US disclosed