SCHEMBL5802483

SCHEMBL5802483

Fc1ccc(-c2nn(C3CCCCO3)c3ccc(CCc4ccccc4)cc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
PLA2G4A P47712 2/20 0.37
MERTK Q12866 2/20 0.37
POLB P06746 1/20 0.37
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
MGLL Q99685 1/20 0.35
GRIN2B Q13224 1/20 0.35
EGFR P00533 1/20 0.34
BTK Q06187 1/20 0.34
DRD4 P21917 1/20 0.34
ESR1 P03372 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 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
SCHEMBL5372891 0.84 CNR1 (0.39) RXRARXRBRXRGMERTKPOLB
SCHEMBL5377928 0.84 RXRA (0.45) RXRARXRBRXRGPOLBDRD4
SCHEMBL5374585 0.82 RXRA (0.36) RXRARXRBRXRGMERTKPOLB
SCHEMBL5388444 0.82 RXRA (0.36) RXRARXRBRXRGMERTKPOLB
SCHEMBL5374578 0.82 RXRA (0.36) RXRARXRBRXRGMERTKPOLB
SCHEMBL5372228 0.81 CYP4F2 (0.38) RXRARXRBRXRGMERTKPOLB
SCHEMBL6499080 0.81 POLB (0.39) RXRARXRBRXRGMERTKPOLB
SCHEMBL5373390 0.79 CSNK1A1 (0.38) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL7170915 0.78 RXRA (0.40) RXRARXRBRXRGPOLBGRIN2B
SCHEMBL5375255 0.78 KDM4E (0.42) RXRARXRBRXRGMERTKPOLB

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-1618093-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS Signal Pharmaceuticals LLC (US) 2006-01-25 EP disclosed
WO-2004094388-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2004-11-04 WO disclosed
WO-2002010137-A9 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARM INC (US) 2003-02-06 WO disclosed