SCHEMBL4959644

SCHEMBL4959644

Cc1cc(Oc2cn(CC(=O)O)nc2C2CC2)cc(C)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
FFAR1 O14842 1/20 0.37
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
TGFBR1 P36897 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DPP4 P27487 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPK1 P28482 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL13871292 0.87 FFAR1 (0.34) EPHX2FFAR1SCN9AALDH1A1KDM4E
SCHEMBL4609693 0.83 PGR (0.37) SCN9AALDH1A1KDM4ELMNAMEN1
SCHEMBL4103253 0.81 SCN9A (0.37) SCN9AALDH1A1KDM4ELMNAMEN1
SCHEMBL4114657 0.81 ALDH1A1 (0.36) FFAR1SCN9AALDH1A1KDM4ELMNA
SCHEMBL4960690 0.78 PGR (0.35) EPHX2SCN9AALDH1A1KDM4ELMNA
SCHEMBL4099335 0.78 ALDH1A1 (0.35) SCN9AALDH1A1KDM4ELMNAMEN1
SCHEMBL4105307 0.78 KDM4E (0.34) SCN9AALDH1A1KDM4ELMNAMEN1
SCHEMBL6001520 0.77 KDM4E (0.32) SCN9AALDH1A1KDM4ELMNAMEN1
SCHEMBL4105248 0.75 LRRK2 (0.39)
SCHEMBL4923554 0.74 TGFBR1 (0.36) TGFBR1

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
EP-1874732-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-01-09 EP disclosed
WO-2006111856-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2006-10-26 WO disclosed