SCHEMBL9230573

SCHEMBL9230573

COC(=O)CCCc1ccc(C[C@]2(NS(=O)(=O)c3ccc(Cl)cc3)CC[C@@H](C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.40
TBXAS1 P24557 2/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.38
FKBP1A P62942 1/20 0.37
IDO1 P14902 1/20 0.37
CCR9 P51686 2/20 0.37
MAPT P10636 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL8896692 0.92 TBXA2R (0.43) TBXA2RTBXAS1PSEN1PSEN2APH1B
SCHEMBL9234700 0.90 TBXA2R (0.42) TBXA2RTBXAS1KMT2AALDH1A1MAPT
SCHEMBL8895764 0.90 TBXA2R (0.42) TBXA2RTBXAS1PSEN1PSEN2APH1B
SCHEMBL8895561 0.89 TBXAS1 (0.42) TBXA2RTBXAS1PSEN1PSEN2APH1B
SCHEMBL8897202 0.89 TBXAS1 (0.42) TBXA2RTBXAS1PSEN1PSEN2APH1B
SCHEMBL9233989 0.87 PSEN1 (0.41) TBXA2RTBXAS1PSEN1PSEN2APH1B
SCHEMBL8894976 0.87 TBXA2R (0.42) TBXA2RTBXAS1PSEN1PSEN2APH1B
SCHEMBL8896977 0.86 TBXA2R (0.41) TBXA2RTBXAS1PSEN1PSEN2APH1B
SCHEMBL8896800 0.84 IDO1 (0.46) TBXA2RTBXAS1ALDH1A1KDM4EIDO1
SCHEMBL8895621 0.83 IDO1 (0.45) TBXA2RTBXAS1ALDH1A1KDM4EIDO1

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
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 EP disclosed