SCHEMBL7448478

SCHEMBL7448478

O=C(O)CNC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
GAA P10253 1/20 0.67
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
POLB P06746 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
HPGD P15428 2/20 0.57
DUSP3 P51452 1/20 0.57
PTPN5 P54829 1/20 0.57
PTPN11 Q06124 1/20 0.57
PKM P14618 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 1/20 0.54
AADAT Q8N5Z0 1/20 0.53
MME P08473 3/20 0.52
ACE P12821 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL7448471 1.00 ALDH1A1 (0.67) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL394112 0.88 MEN1 (0.62) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL394111 0.88 MEN1 (0.62) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL11619526 0.84 ALDH1A1 (0.72) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL6989831 0.84 ALDH1A1 (0.64) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL7426788 0.82 ALDH1A1 (0.52) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL6988577 0.81 ALDH1A1 (0.61) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL392680 0.81 ALDH1A1 (1.00) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL4861809 0.81 ALDH1A1 (1.00) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL478614 0.81 ALDH1A1 (1.00) ALDH1A1GAAMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218382-B1 FOR PROPHYLAXIS OR THERAPY OF THROMBOSIS COR THERAPEUTICS, INC 2001-04-17 US disclosed
EP-0994892-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 2000-04-26 EP disclosed
WO-1999007732-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 1999-02-18 WO disclosed