SCHEMBL7376239

SCHEMBL7376239

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 4/20 0.50
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 4/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
CYP2C9 P11712 3/20 0.46
TBXA2R P21731 3/20 0.46
ADRA1A P35348 3/20 0.46
SLC6A3 Q01959 3/20 0.46
CYP3A4 P08684 3/20 0.46
ABCB11 O95342 3/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 2/20 0.46
ABCB1 P08183 2/20 0.46

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
SCHEMBL7381554 0.95 KDM4E (0.47) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL7382103 0.92 KDM4E (0.56) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL7376670 0.92 ALDH1A1 (0.51) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL7382902 0.88 CYP2C9 (0.49) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL7375002 0.87 KDM4E (0.49) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL9765752 0.86 CYP3A4 (0.51) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL7376680 0.86 TBXA2R (0.48) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL7385058 0.85 ALDH1A1 (0.54) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL7380812 0.84 HSD17B10 (0.46) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL7379245 0.84 CYP2C9 (0.49) ALDH1A1LMNAKMT2AMAPTNPSR1

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