SCHEMBL16620122

SCHEMBL16620122

O=C(Nc1ccc(CBr)c(Cl)c1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.57
NR1H4 Q96RI1 1/20 0.57
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
NPY1R P25929 1/20 0.43
HTT P42858 1/20 0.43
NPY2R P49146 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
HDAC1 Q13547 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
SCHEMBL16620023 0.83 CYP1A2 (0.48) EPHX2NR1H4CYP1A2CYP2C9CYP2C19
SCHEMBL274988 0.82 AR (0.51) EPHX2NR1H4CYP1A2CYP2C9CYP2C19
SCHEMBL29999042 0.82 AR (0.51) EPHX2NR1H4CYP1A2CYP2C9CYP2C19
SCHEMBL16620032 0.81 EPHX2 (0.57) EPHX2NR1H4CYP1A2CYP2C9CYP2C19
SCHEMBL22060072 0.81 EPHX2 (0.66) EPHX2NR1H4CYP1A2CYP2C9CYP2C19
SCHEMBL10577425 0.81 EPHX1 (0.46) EPHX2L3MBTL1MEN1LMNAKMT2A
SCHEMBL4403329 0.80 EPHX1 (0.63) EPHX2CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL11622425 0.80 RORC (0.55) EPHX2L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL22060074 0.78 EPHX2 (0.66) EPHX2NR1H4CYP1A2CYP2C9CYP2C19
SCHEMBL16621003 0.76 SMN1; SMN2 (0.60) EPHX2NR1H4CYP1A2CYP2C9CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015049325-A1 THERAPEUTIC INHIBITORS OF CDK8 AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2015-04-09 WO disclosed
WO-2015049325-A1 THERAPEUTIC INHIBITORS OF CDK8 AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2015-04-09 WO disclosed
US-20150045255-A1 Endometrial Phase or Endometrial Cancer Biomarkers WALFISH, PAUL (CA) 2015-02-12 US disclosed