SCHEMBL5802425

SCHEMBL5802425

O=C(O)c1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ATR Q13535 3/20 0.33
DGAT2 Q96PD7 1/20 0.33
PTGER4 P35408 1/20 0.33
DRD1 P21728 1/20 0.33
CPT1A P50416 2/20 0.33
CPT1B Q92523 2/20 0.33
PIK3CD O00329 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MCL1 Q07820 1/20 0.32
MAPK1 P28482 1/20 0.32
MAP2K4 P45985 1/20 0.32
MAPKAPK3 Q16644 1/20 0.32
MAPK6 Q16659 1/20 0.32
CTSD P07339 1/20 0.32
RORC P51449 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL5373140 0.92 CPT2 (0.35) RXRARXRBRXRGATRDGAT2
SCHEMBL4605947 0.92 CMKLR1 (0.34) RXRARXRBRXRGATRDGAT2
SCHEMBL5374237 0.91 CNR1 (0.32) RXRARXRBRXRGDGAT2DRD1
SCHEMBL5373361 0.91 DGAT2 (0.36) RXRARXRBRXRGATRDGAT2
SCHEMBL5379221 0.90 DGAT2 (0.35) RXRARXRBRXRGATRDGAT2
SCHEMBL5374181 0.90 DRD1 (0.33) RXRARXRBRXRGATRDGAT2
SCHEMBL5651015 0.90 DRD1 (0.33) RXRARXRBRXRGATRDGAT2
SCHEMBL5377689 0.90 DGAT2 (0.34) RXRARXRBRXRGATRDGAT2
SCHEMBL5386197 0.90 MEN1 (0.39) RXRARXRBRXRGDGAT2
SCHEMBL5378341 0.89 DGAT2 (0.37) RXRARXRBRXRGATRDGAT2

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 5 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
EP-1313711-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-05-28 EP disclosed
WO-2002010137-A9 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARM INC (US) 2003-02-06 WO disclosed
WO-2002010137-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-02-07 WO disclosed