SCHEMBL9313889

SCHEMBL9313889

O=C(NCCc1ccccc1)Nc1ccc2c(c1)NC(=O)C21CCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

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 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 2/20 0.48
PRMT3 O60678 1/20 0.47
EPHX1 P07099 3/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL9312812 0.94 EPHX1 (0.53) NPC1RAB9ASMN1; SMN2CNR1MEN1
SCHEMBL9866132 0.84 NPC1 (0.52) NPC1RAB9ASMN1; SMN2CNR1MEN1
SCHEMBL9313210 0.81 EPHX1 (0.51) MAPTEPHX1HDAC1HDAC2MAPK14
SCHEMBL9312919 0.79 NPC1 (0.51) NPC1RAB9ASMN1; SMN2CNR1MEN1
SCHEMBL9312531 0.74 CNR1 (0.45) NPC1RAB9ASMN1; SMN2CNR1MEN1
SCHEMBL9312934 0.74 RAB9A (0.58) NPC1RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL9314257 0.73 MAPT (0.49) RAB9AMEN1MAPTKMT2AEPHX1
SCHEMBL9312900 0.73 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2CNR1MEN1
SCHEMBL9312226 0.73 MAPT (0.49) RAB9ASMN1; SMN2MEN1MAPTKMT2A
SCHEMBL9773752 0.71 MAPK14 (0.55) NPC1RAB9AMEN1KMT2AMAPK14

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