SCHEMBL9312911

SCHEMBL9312911

COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)CC3(C)C)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.51
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 9/20 0.50
KMT2A Q03164 9/20 0.50
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 3/20 0.46
QPCT Q16769 1/20 0.46
BLM P54132 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 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
SCHEMBL9314224 0.87 RAB9A (0.56) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL9312876 0.81 POLB (0.57) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL3150642 0.80 HDAC3 (0.52) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL31714495 0.80 HDAC3 (0.52) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL9314396 0.80 RARB (0.54) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL9312829 0.80 TNKS (0.47) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL22425121 0.80 MAPT (0.53) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL9312451 0.79 RARB (0.52) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL10587722 0.78 KMT2A (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9312226 0.78 MAPT (0.49) MAPTLMNANPSR1MEN1KMT2A

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