SCHEMBL9053660

SCHEMBL9053660

COc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2F)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
CNR1 P21554 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
KMT2A Q03164 2/20 0.43
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL9047016 0.84 HSD17B10 (0.56) ALDH1A1KDM4EMAPTLMNANPSR1
SCHEMBL9047335 0.79 KMT2A (0.54) LMNAKMT2AALPLALPIALPG
SCHEMBL8189741 0.78 MAPT (0.60) ALDH1A1KDM4EMAPTLMNAKMT2A
SCHEMBL9049481 0.78 LMNA (0.55) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL9116444 0.76 PGR (0.56) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL9049128 0.76 SIRT2 (0.47) KDM4EMAPTLMNAKMT2AMAPK1
SCHEMBL9053358 0.75 PSEN1 (0.43) ALDH1A1KDM4EPSEN1PSEN2APH1B
SCHEMBL29622845 0.75 KEAP1 (0.53) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL113562 0.75 KEAP1 (0.53) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL8540234 0.72 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTLMNAKMT2A

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-0734378-A1 AMINOSULPHONYL-PHENYL-1H-PYRROLE DERIVATIVES, METHOD OF THEIR PREPARATION AND THEIR USE SMITHKLINE BEECHAM PLC (GB) 1996-10-02 EP disclosed