SCHEMBL4728221

SCHEMBL4728221

COc1ccc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)NCC3CCCO3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C9 P11712 1/20 0.46
MAPK14 Q16539 1/20 0.46
CYP1A2 P05177 1/20 0.46
ROCK2 O75116 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL4727073 0.88 MAPK14 (0.48) MAPK14
SCHEMBL4728217 0.84 RAF1 (0.40)
SCHEMBL4728367 0.84 MAPK14 (0.50) HPGDKMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL4727373 0.82 RAF1 (0.47) MAPK14
SCHEMBL4725920 0.81 EGLN1 (0.48) HPGDKMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL4729229 0.80 MEN1 (0.52) KMT2ASMN1; SMN2ROCK2MEN1
SCHEMBL4727856 0.80 MEN1 (0.45) KMT2ASMN1; SMN2TSHRL3MBTL1CYP1A2
SCHEMBL4729418 0.80 MEN1 (0.44) KMT2ASMN1; SMN2TSHRL3MBTL1CYP2C9
SCHEMBL4727070 0.80 RAF1 (0.46)
SCHEMBL4409369 0.79 RAB9A (0.51) HPGDKMT2ASMN1; SMN2TSHRL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed