SCHEMBL7960155

SCHEMBL7960155

O=C(O)COc1cccc2c1ccn2CCBr

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.59
PPARG P37231 5/20 0.50
PPARA Q07869 5/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
BAD Q92934 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
BCL2 P10415 2/20 0.41
PPARD Q03181 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR6 P50406 1/20 0.41
BCL2L1 Q07817 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
SCHEMBL7959506 0.88 MCL1 (0.60) MCL1PPARGPPARAALDH1A1KDM4E
SCHEMBL7959081 0.82 MCL1 (0.53) MCL1PPARGPPARAALDH1A1KDM4E
SCHEMBL7959220 0.80 MCL1 (0.59) MCL1PPARGPPARAALDH1A1KDM4E
SCHEMBL7956906 0.80 MCL1 (0.59) MCL1PPARGPPARAALDH1A1KDM4E
SCHEMBL10202539 0.80 MEN1 (0.55) MCL1PPARGPPARAALDH1A1KDM4E
SCHEMBL7948724 0.79 MCL1 (0.55) MCL1PPARGPPARAALDH1A1KDM4E
SCHEMBL7948387 0.79 MCL1 (0.55) MCL1PPARGPPARAALDH1A1KDM4E
SCHEMBL7958447 0.78 MCL1 (0.54) MCL1PPARGPPARAALDH1A1KDM4E
SCHEMBL7956741 0.78 MCL1 (0.52) MCL1PPARGPPARAALDH1A1KDM4E
SCHEMBL7959753 0.78 PTGIR (0.54) MCL1PPARGPPARAALDH1A1KDM4E

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