SCHEMBL7419641

SCHEMBL7419641

CCOC(=O)CN(C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 3/20 0.47
ELANE P08246 1/20 0.44
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
AR P10275 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7375896 0.86 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1CRHBP
SCHEMBL7417406 0.84 ALDH1A1 (0.70) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL8103391 0.83 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL6957845 0.81 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AMEN1CRHBP
SCHEMBL3532473 0.78 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL7426611 0.78 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL1548167 0.77 ATM (0.55) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL9402668 0.74 KMT2A (0.56) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL7418231 0.74 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL6607753 0.74 SMN1; SMN2 (0.57) ALDH1A1KMT2AHTTMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885205-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-0885205-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-12-23 EP disclosed
US-5780480-A THROMBOLYTIC AGENTS, ANTICOAGULANTS MERCK & CO., INC. (US) 1998-07-14 US disclosed
WO-1997031910-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-09-04 WO disclosed