SCHEMBL7956741

SCHEMBL7956741

O=C(O)COc1cccc2c1ccn2CCNC(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.52
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
BAD Q92934 2/20 0.44
MAPK1 P28482 2/20 0.42
HTR6 P50406 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
DUT P33316 2/20 0.41
BCL2L1 Q07817 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
TERT O14746 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL7956906 0.82 MCL1 (0.59) MCL1ALDH1A1KDM4EHPGDTDP1
SCHEMBL7948724 0.81 MCL1 (0.55) MCL1ALDH1A1KDM4EHPGDTDP1
SCHEMBL7957937 0.81 MCL1 (0.50) MCL1ALDH1A1KDM4EHPGDTDP1
SCHEMBL7958447 0.80 MCL1 (0.54) MCL1ALDH1A1KDM4EHPGDTDP1
SCHEMBL7959753 0.80 PTGIR (0.54) MCL1ALDH1A1KDM4EHPGDTDP1
SCHEMBL7959506 0.80 MCL1 (0.60) MCL1ALDH1A1KDM4EHPGDTDP1
SCHEMBL7960467 0.79 MCL1 (0.53) MCL1ALDH1A1KDM4EHPGDTDP1
SCHEMBL7958504 0.79 ALDH1A1 (0.57) MCL1ALDH1A1KDM4EHPGDTDP1
SCHEMBL7960155 0.78 MCL1 (0.59) MCL1ALDH1A1KDM4EHPGDTDP1
SCHEMBL7956866 0.78 MCL1 (0.48) MCL1ALDH1A1KDM4EHPGDTDP1

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-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed