SCHEMBL7669010

SCHEMBL7669010

Clc1[c]c(Sc2ccccc2)ncc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
GRM5 P41594 3/20 0.33
PNP P00491 1/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 2/20 0.32
PTGIR P43119 1/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
CHRNA7 P36544 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL4927313 0.72
SCHEMBL8141745 0.71 ALDH1A1 (0.35) HTTALDH1A1NPSR1
SCHEMBL2301924 0.69 HPGD (0.35) L3MBTL1HPGDHTTALDH1A1LMNA
SCHEMBL7670630 0.68 MAPK14 (0.33) L3MBTL1HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL7667618 0.66 PDE5A (0.34) KDM4E
SCHEMBL191141 0.65 TRPA1 (0.47) L3MBTL1HPGDGRM5ALDH1A1LMNA
SCHEMBL3690080 0.64 GRM5 (0.51) L3MBTL1HPGDHTTGRM5CYP1A2
SCHEMBL3693314 0.64 PLK4 (0.39) L3MBTL1HPGDHTTGRM5ALDH1A1
SCHEMBL351296 0.64
SCHEMBL11144934 0.63 ALDH1A1 (0.44) L3MBTL1HPGDHTTALDH1A1LMNA

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
US-6458813-B1 2-CYCLOHEXYLOXY-5-(2-CHLOROPHENYLCARBONYLAMINO)PYRIDINE, FOR EXAMPLE; TREATING INFLAMMATION, PAIN, DIABETES, CANCER AMGEN INC. 2002-10-01 US disclosed
US-6333341-B1 TUMOR NECROSIS FACTOR, ANTIINFLAMMATORY AGENTS AND ANALGESICS AMGEN INC. 2001-12-25 US disclosed
US-6184237-B1 Substituted pyridine compounds and methods of use AMGEN INC. 2001-02-06 US disclosed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed