SCHEMBL8895038

SCHEMBL8895038

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.45
EGFR P00533 2/20 0.44
ERBB2 P04626 2/20 0.44
S1PR1 P21453 1/20 0.43
LMNA P02545 1/20 0.42
TBXA2R P21731 1/20 0.41
TBXAS1 P24557 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
CCR9 P51686 2/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL8897066 0.95 UTS2R (0.49) UTS2REGFRERBB2TBXA2RTBXAS1
SCHEMBL8896968 0.92 S1PR1 (0.49) UTS2REGFRERBB2S1PR1LMNA
SCHEMBL8897821 0.92 S1PR1 (0.49) UTS2REGFRERBB2S1PR1LMNA
SCHEMBL8896098 0.91 UTS2R (0.46) UTS2RS1PR1TBXA2RTBXAS1MEN1
SCHEMBL8895014 0.91 UTS2R (0.56) UTS2REGFRERBB2LMNATBXA2R
SCHEMBL8896337 0.91 ALDH1A1 (0.45) LMNAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL8897043 0.91 ALDH1A1 (0.46) UTS2RLMNATBXA2RTBXAS1ALDH1A1
SCHEMBL8895339 0.91 UTS2R (0.41) UTS2RLMNATBXA2RTBXAS1MEN1
SCHEMBL8898580 0.90 ALDH1A1 (0.49) UTS2REGFRERBB2LMNAMEN1
SCHEMBL8895435 0.90 UTS2R (0.45) UTS2RS1PR1LMNATBXA2RTBXAS1

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