SCHEMBL4070607

SCHEMBL4070607

Cc1cc(Cl)ccc1Oc1ccc(NC(=O)c2c(Cl)cccc2Cl)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
POLB P06746 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
TYK2 P29597 3/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 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 0.90 TYK2 (0.42) RAB9AALDH1A1POLBTP53MAPT
SCHEMBL4067700 0.88 ALDH1A1 (0.50) RAB9AALDH1A1POLBTP53MAPT
SCHEMBL4061920 0.85 ALDH1A1 (0.60) RAB9AALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL4061218 0.83 GRM8 (0.43) RAB9AALDH1A1SMN1; SMN2NPC1TYK2
SCHEMBL4069795 0.83 ALDH1A1 (0.43) ALDH1A1TSHRPOLBHSD17B10USP2
SCHEMBL4061697 0.80 GRM8 (0.55) POLBTYK2JAK2JAK1
SCHEMBL4064583 0.79 ALDH1A1 (0.49) RAB9AALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL4065194 0.75 ALDH1A1 (0.58) RAB9AALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL4066166 0.75 ABL1 (0.48) TYK2JAK2JAK1
SCHEMBL4058614 0.72 GRM8 (0.53) POLB

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