SCHEMBL27733871

SCHEMBL27733871

CCC(=O)OC(c1cc2cc(OC(F)(F)F)ccc2[nH]1)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PDGFRB P09619 2/20 0.41
▸ PDGFRA P16234 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ FPR2 P25090 1/20 0.39
▸ BCAT1 P54687 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ LGALS8 O00214 1/20 0.37
▸ LGALS3 P17931 1/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ KAT6A Q92794 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL27713329 0.86 AR (0.39) KMT2APDGFRBPDGFRAMAPTESR1
SCHEMBL27713340 0.85 ATM (0.41) KDM4EPDGFRBPDGFRA
SCHEMBL27733782 0.83 KDM4E (0.43) KDM4EGAAKMT2APDGFRBPDGFRA
SCHEMBL28770872 0.83 PDGFRB (0.43) KDM4EPDGFRBPDGFRAMAPTIDO1
SCHEMBL27733651 0.83 MMP2 (0.38) KMT2AMAPTESR1
SCHEMBL27713445 0.83 BCAT1 (0.45) GAAPDGFRBPDGFRAMAPTIDO1
SCHEMBL27713332 0.83 MEN1 (0.42) KDM4EKMT2AMAPTBCAT1
SCHEMBL27713316 0.82 HRH3 (0.37) KMT2APDGFRBPDGFRAMAPTBCAT1
SCHEMBL27733691 0.81 ELANE (0.41) KMT2APDGFRBPDGFRAMAPTCYP2C9
SCHEMBL27733647 0.80 PTGDR2 (0.38) KDM4EKMT2AMAPTESR1

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
CN-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 — — CN disclosed
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 — — CN disclosed
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