SCHEMBL7375002

SCHEMBL7375002

COC(=O)C1=C(C)NC(C)=C(S(=O)(=O)c2ccc(OC)cc2)C1c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
HSD17B10 Q99714 7/20 0.49
ALDH1A1 P00352 7/20 0.49
HPGD P15428 6/20 0.49
CYP2C9 P11712 5/20 0.49
CYP3A4 P08684 5/20 0.49
GAA P10253 5/20 0.49
CYP1A2 P05177 4/20 0.49
CYP2C19 P33261 4/20 0.49
KMT2A Q03164 4/20 0.49
ABCB11 O95342 4/20 0.49
ADORA3 P0DMS8 4/20 0.49
TSHR P16473 4/20 0.49
MAPT P10636 4/20 0.49
HIF1A Q16665 3/20 0.49
SCN5A Q14524 3/20 0.49
TBXA2R P21731 3/20 0.49
ADRA1A P35348 3/20 0.49
SLC6A3 Q01959 3/20 0.49
MEN1 O00255 3/20 0.49

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
SCHEMBL7384442 0.91 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDCYP2C9
SCHEMBL7382103 0.91 KDM4E (0.56) KDM4EHSD17B10ALDH1A1HPGDCYP2C9
SCHEMBL7377019 0.90 KDM4E (0.50) KDM4EHSD17B10ALDH1A1HPGDCYP2C9
SCHEMBL7382716 0.90 ALOX15 (0.50) KDM4EHSD17B10ALDH1A1HPGDCYP2C9
SCHEMBL7382185 0.90 NR3C2 (0.43) KDM4EHSD17B10ALDH1A1HPGDCYP2C9
SCHEMBL7376831 0.90 CYP2C9 (0.46) KDM4EHSD17B10ALDH1A1HPGDCYP2C9
SCHEMBL7375485 0.90 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDCYP2C9
SCHEMBL7384438 0.90 CYP2C9 (0.46) KDM4EHSD17B10ALDH1A1HPGDCYP2C9
SCHEMBL7381706 0.89 KDM4E (0.48) KDM4EHSD17B10ALDH1A1HPGDCYP2C9
SCHEMBL7381703 0.89 KDM4E (0.45) KDM4EHSD17B10ALDH1A1HPGDCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4889866-A CARDIOVASCULAR DISEASES, HYPOTENSIVE AGENTS, CONGESTIVE HEART FAILURE SYNTEX (U.S.A.) INC. (US) 1989-12-26 US disclosed