SCHEMBL8129072

SCHEMBL8129072

CCc1cc[c]c(Oc2cccnc2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNB2 P17787 4/20 0.38
CHRNA4 P43681 4/20 0.38
CYP19A1 P11511 3/20 0.38
HTT P42858 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL8126130 0.89 TDP1 (0.44) LMNATDP1ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL8143440 0.87 TDP1 (0.46) LMNATDP1ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL8143883 0.85 TDP1 (0.51) LMNATDP1CYP19A1KMT2A
SCHEMBL8130021 0.82 CYP19A1 (0.47) LMNATDP1ALDH1A1CHRNB2CHRNA4
SCHEMBL9799454 0.81 LMNA (0.50) LMNATDP1ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL8124461 0.78 LMNA (0.50) LMNATDP1ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL8124416 0.78 LMNA (0.50) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL8124770 0.78 LMNA (0.50) LMNATDP1ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL16301357 0.77 LMNA (0.68) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL8126088 0.76 LMNA (0.45) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1

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-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