SCHEMBL9314224

SCHEMBL9314224

COc1ccccc1NC(=O)Nc1ccc2c(c1)NC(=O)CC2(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.56
NPC1 O15118 8/20 0.56
MAPT P10636 9/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 7/20 0.53
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL9312911 0.87 MAPT (0.51) RAB9AMAPTMEN1KMT2AALDH1A1
SCHEMBL9312876 0.84 POLB (0.57) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL9866123 0.84 MAPT (0.58) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL24430170 0.81 RAB9A (0.63) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL9312934 0.80 RAB9A (0.58) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL9313863 0.80 MAPT (0.59) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL9313855 0.80 MAPT (0.59) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL3150642 0.76 HDAC3 (0.52) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL9314396 0.76 RARB (0.54) MAPTMEN1KMT2AALDH1A1
SCHEMBL31714495 0.76 HDAC3 (0.52) RAB9ANPC1MAPTMEN1KMT2A

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