SCHEMBL10151367

SCHEMBL10151367

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(S)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 2/20 0.40
HPGDS O60760 2/20 0.40
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
RXRA P19793 2/20 0.38
GSK3B P49841 2/20 0.37
DYRK1A Q13627 2/20 0.37
ABL1 P00519 1/20 0.37
ADORA3 P0DMS8 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SUV39H1 O43463 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
PRMT1 Q99873 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 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
SCHEMBL646580 0.95 DEGS1 (0.45) DEGS1HPGDSEPHX2ALDH1A1GAA
SCHEMBL648016 0.93 LIPE (0.43) DEGS1HPGDSEPHX2ALDH1A1GAA
SCHEMBL8234419 0.92 DEGS1 (0.47) DEGS1HPGDSEPHX2ALDH1A1GAA
SCHEMBL648772 0.92 F10 (0.42) DEGS1HPGDSEPHX2ALDH1A1GAA
SCHEMBL645596 0.92 MEN1 (0.44) DEGS1HPGDSEPHX2ALDH1A1GAA
SCHEMBL646827 0.92 MAPT (0.41) DEGS1HPGDSEPHX2ALDH1A1GAA
SCHEMBL646984 0.91 TP53 (0.43) DEGS1HPGDSEPHX2ALDH1A1GAA
SCHEMBL649267 0.91 DEGS1 (0.40) DEGS1HPGDSEPHX2ALDH1A1GAA
SCHEMBL648071 0.90 MAPT (0.44) DEGS1HPGDSALDH1A1GAAPOLB
SCHEMBL646895 0.90 HPGDS (0.41) DEGS1HPGDSEPHX2ALDH1A1RXRA

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
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed