SCHEMBL5819232

SCHEMBL5819232

COc1ccc2cc(-c3nn(C4CCCCO4)c4ccc(C(=O)O)cc34)ccc2c1.[KH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
PTGER4 P35408 2/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
BTK Q06187 1/20 0.39
SRC P12931 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM2B Q8NHM5 4/20 0.37
ALDH1A1 P00352 2/20 0.36
CMKLR1 Q99788 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4079169 0.99 KDM4E (0.44) KDM4EPTGER4RXRARXRBRXRG
Potassium Ion SCHEMBL5819229 0.98 KDM4E (0.43) KDM4EPTGER4RXRARXRBRXRG
SCHEMBL5788805 0.90 KDM2B (0.40) KDM4EPTGER4RXRARXRBRXRG
SCHEMBL5788801 0.90 PTGER4 (0.39) KDM4EPTGER4RXRARXRBRXRG
SCHEMBL4088986 0.88 RXRA (0.40) KDM4EPTGER4RXRARXRBRXRG
SCHEMBL5786180 0.85 RXRA (0.38) KDM4EPTGER4RXRARXRBRXRG
SCHEMBL5788803 0.84 CD274 (0.49) KDM4EPTGER4ALDH1A1MAPTPOLB
SCHEMBL4094652 0.84 RAB9A (0.37) KDM4ERXRARXRBRXRGSRC
SCHEMBL4085469 0.84 CHRNB2 (0.43) RXRARXRBRXRG
SCHEMBL4085472 0.84 CHRNB2 (0.43) RXRARXRBRXRG

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-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 WO disclosed