SCHEMBL6209656

SCHEMBL6209656

Cc1cc(N2NC=CO2)c(C(=O)NC2CC2)cc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR2 P34972 4/20 0.41
CNR1 P21554 3/20 0.41
MAPK14 Q16539 2/20 0.41
FAAH O00519 1/20 0.40
RIPK2 O43353 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK8 P45983 1/20 0.38
POLB P06746 2/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL6211457 0.81 CNR2 (0.42) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27642695 0.73 GAA (0.52) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6207192 0.69 MAPK14 (0.55) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27663237 0.69 GAA (0.45) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27663169 0.69 GAA (0.44) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31367847 0.68 MAPK14 (0.74) MEN1KMT2ASMN1; SMN2MAPK14RIPK2
SCHEMBL6208952 0.66 MAPK14 (0.40) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL16600481 0.63 NPC1 (0.56) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL457993 0.63 NPC1 (0.84) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL23573548 0.63 NPC1 (0.77) GAAMEN1KMT2AALDH1A1SMN1; SMN2

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-1499600-A1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-26 EP disclosed
WO-2003093248-A1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-11-13 WO disclosed