SCHEMBL6915094

SCHEMBL6915094

O=S(=O)(Cc1ccccc1Cl)c1ccc2[nH]c(-c3ncc(F)cc3F)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.37
SCD O00767 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
GRM4 Q14833 1/20 0.37
CYP1A2 P05177 7/20 0.37
CYP2C9 P11712 7/20 0.37
CYP3A4 P08684 6/20 0.37
CYP2C19 P33261 6/20 0.37
CYP2D6 P10635 4/20 0.36
OPRL1 P41146 1/20 0.36
PRKDC P78527 1/20 0.35
ATM Q13315 1/20 0.35
ATR Q13535 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL12689585 0.91 SCD (0.39) EGLN1SCDKDM4EKMT2AGRM4
SCHEMBL6915101 0.87 CBFB (0.41) EGLN1SCDKDM4EKMT2AGRM4
SCHEMBL6926516 0.82 MEN1 (0.48) KDM4EKMT2AGRM4ALDH1A1
SCHEMBL6915839 0.79 CYP1A2 (0.44) EGLN1SCDKDM4EKMT2AGRM4
SCHEMBL1822351 0.79 CBFB (0.55) SCDKDM4EKMT2AGRM4CYP1A2
SCHEMBL12689566 0.77 CYP2C9 (0.47) EGLN1SCDKDM4EKMT2ACYP1A2
SCHEMBL6915733 0.77 CYP2C9 (0.46) EGLN1SCDKDM4EKMT2AGRM4
SCHEMBL12689481 0.77 GRM4 (0.42) EGLN1SCDKDM4EKMT2AGRM4
SCHEMBL6916201 0.77 METAP1 (0.51) KDM4EKMT2AGRM4CYP1A2CYP2C9
SCHEMBL6915845 0.75 CBFB (0.50) KDM4EKMT2AGRM4CYP1A2CYP2C9

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-8912336-B2 Aryl and heteroaryl sulfones as mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-12-16 US disclosed
WO-2011057208-A2 ARYL AND HETEROARYL SULFONES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-05-12 WO disclosed