SCHEMBL8886943

SCHEMBL8886943

COc1ccc(Cn2cc(-c3ccc(=O)[nH]n3)c(-c3ccccc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDE4B Q07343 1/20 0.41
PDE3A Q14432 1/20 0.41
CDC7 O00311 1/20 0.40
PLK1 P53350 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MAPT P10636 1/20 0.39
NPBWR1 P48145 1/20 0.39
CYP11B1 P15538 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
SCHEMBL8887601 0.78 LMNA (0.48) LMNAKMT2AMEN1NPC1KDM4E
SCHEMBL8889377 0.78 LMNA (0.48) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL8887257 0.73 LMNA (0.52) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL8887376 0.73 SMN1; SMN2 (0.70) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL17610298 0.71 CYP1A2 (0.47) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL7773183 0.71 PTGS2 (0.61) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL7777871 0.70 PTGS2 (0.58) KMT2AMEN1
SCHEMBL8889051 0.70 LMNA (0.60) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL8889515 0.70 LMNA (0.53) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL1376637 0.68 LMNA (1.00) LMNAKMT2AMEN1NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997001551-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-01-16 WO disclosed