SCHEMBL4776780

SCHEMBL4776780

O=Cc1ccccc1-n1c(C(F)(F)F)nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
PIK3CB P42338 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.37
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL1707986 0.88 MAPK1 (0.48) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL2091385 0.77 MAPK1 (0.50) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL12937256 0.75 MAPK1 (0.74) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL17378596 0.73 MAPK1 (0.59) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL10041283 0.71 MAPK1 (0.56) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL10041277 0.70 MAPK1 (0.48) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL1708124 0.69 MAPK1 (0.48) MAPK1PIK3CBKDM4EALDH1A1HPGD
SCHEMBL1707974 0.69 MAPK1 (0.47) MAPK1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL21809123 0.69 CYP2C9 (0.58) MAPK1KDM4EALDH1A1HPGDCYP2C9
SCHEMBL3285853 0.69 MAPK1 (0.54) MAPK1PIK3CBKDM4EALDH1A1HPGD

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
EP-1809294-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2008-08-06 EP disclosed
EP-1809294-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-07-25 EP disclosed
WO-2006034402-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICAL CORP. (US) 2006-03-30 WO disclosed