SCHEMBL8895014

SCHEMBL8895014

COC(=O)CCCc1ccc(C(CCc2ccc(C)cc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.56
KMT2A Q03164 4/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
TBXA2R P21731 1/20 0.41
TBXAS1 P24557 1/20 0.41
MEN1 O00255 2/20 0.41
CCR9 P51686 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ATM Q13315 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
SCHEMBL8897066 0.96 UTS2R (0.49) UTS2RKMT2AEGFRERBB2ALDH1A1
SCHEMBL8895989 0.92 UTS2R (0.51) UTS2RKMT2AEGFRERBB2ALDH1A1
SCHEMBL8896098 0.92 UTS2R (0.46) UTS2RKMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL8897043 0.92 ALDH1A1 (0.46) UTS2RALDH1A1GAALMNACYP2C19
SCHEMBL8895823 0.92 UTS2R (0.47) UTS2RKMT2AALDH1A1GAAMAPT
SCHEMBL8895435 0.91 UTS2R (0.45) UTS2RKMT2AALDH1A1LMNAHTT
SCHEMBL8898580 0.91 ALDH1A1 (0.49) UTS2RKMT2AEGFRERBB2ALDH1A1
SCHEMBL8895038 0.91 UTS2R (0.45) UTS2RKMT2AEGFRERBB2ALDH1A1
SCHEMBL8896463 0.90 UTS2R (0.44) UTS2RKMT2AALDH1A1LMNAHTT
SCHEMBL8898667 0.90 UTS2R (0.44) UTS2RKMT2AALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597848-A PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS HOKURIKU SEIYAKU CO., LTD. (JP) 1997-01-28 US disclosed
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 EP disclosed