SCHEMBL4061271

SCHEMBL4061271

Cc1cc(Cl)ccc1Oc1ncc(NC(=O)c2ccccc2C)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 1/20 0.58
ALDH1A1 P00352 1/20 0.55
NPC1 O15118 1/20 0.52
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
CYP11B2 P19099 1/20 0.52
POLB P06746 2/20 0.51
KMT2A Q03164 2/20 0.51
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
SGMS2 Q8NHU3 2/20 0.51
STK39 Q9UEW8 1/20 0.50
KCNMA1 Q12791 1/20 0.49
ABL1 P00519 1/20 0.48
SRC P12931 1/20 0.48
DHODH Q02127 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL4071750 0.92 PNLIP (0.55) PNLIPCYP11B2SGMS2STK39GRM4
SCHEMBL4073214 0.88 ABL1 (0.46) PNLIPCYP11B2STK39ABL1SRC
SCHEMBL4062244 0.86 PNLIP (0.60) PNLIPALDH1A1NPC1ALOX15HTT
SCHEMBL4066166 0.84 ABL1 (0.48) PNLIPSTK39ABL1SRC
SCHEMBL4065181 0.78 GRM4 (0.57) PNLIPKMT2ASGMS2STK39MEN1
SCHEMBL4062656 0.78 PNLIP (0.60) PNLIPALDH1A1POLBKMT2AKCNK3
SCHEMBL4240750 0.78 PNLIP (0.56) PNLIPSGMS2STK39GRM4
SCHEMBL4069792 0.77 GRM8 (0.53) PNLIPALDH1A1NPC1RAB9ACYP11B2
SCHEMBL4060753 0.76 GRM8 (0.52) PNLIPCYP11B2SGMS2STK39MAPT
SCHEMBL4061920 0.75 ALDH1A1 (0.60) PNLIPALDH1A1NPC1ALOX15HTT

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