SCHEMBL4069795

SCHEMBL4069795

Cc1cc(Cl)ccc1Oc1ccc(NC(=O)c2c(C)cccc2C)c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
SCN9A Q15858 1/20 0.40
MEN1 O00255 1/20 0.39
XBP1 P17861 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4072610 0.93 TYK2 (0.42) ALDH1A1MAPTMRGPRX4MEN1KMT2A
SCHEMBL4065194 0.88 ALDH1A1 (0.58) ALDH1A1MAPTSCN9AMEN1KMT2A
SCHEMBL4064583 0.85 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4070607 0.83 RAB9A (0.41) ALDH1A1MAPTMRGPRX4MEN1KMT2A
SCHEMBL4058614 0.79 GRM8 (0.53) POLB
SCHEMBL4061920 0.78 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4067700 0.75 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4068452 0.74 CYP3A4 (0.44) ALDH1A1MAPTSCN9AMEN1KMT2A
SCHEMBL4061218 0.74 GRM8 (0.43) ALDH1A1SCN9ASMN1; SMN2
SCHEMBL4073214 0.73 ABL1 (0.46)

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-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed