SCHEMBL6688046

SCHEMBL6688046

Cc1cccc2oc(-c3c[nH]nc3-c3ccc(N(C(N)=O)C(=O)C4CC4)cc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CEPT1 Q9Y6K0 1/20 0.40
FASN P49327 9/20 0.37
AGPAT2 O15120 2/20 0.37
TMEM97 Q5BJF2 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
TOP2A P11388 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTR3A P46098 2/20 0.31
KCNH2 Q12809 2/20 0.31
F2RL3 Q96RI0 1/20 0.31
CYP3A4 P08684 1/20 0.31
POLB P06746 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
SCHEMBL6086055 0.84 CEPT1 (0.39) CEPT1FASNAGPAT2TMEM97HRH4
SCHEMBL6690576 0.83 NPC1 (0.41) FASNAGPAT2TMEM97HRH4NPC1
SCHEMBL6688484 0.78 CEPT1 (0.44) CEPT1AGPAT2NPC1RAB9APOLB
SCHEMBL6692684 0.78 AGPAT2 (0.41) CEPT1AGPAT2TOP2ANPC1RAB9A
SCHEMBL6086552 0.74 CEPT1 (0.49) CEPT1AGPAT2TOP2ANPC1RAB9A
SCHEMBL6086026 0.73 CEPT1 (0.47) CEPT1AGPAT2NPC1RAB9A
SCHEMBL6084017 0.73 CEPT1 (0.52) CEPT1AGPAT2TOP2ANPC1RAB9A
SCHEMBL6087191 0.72 CEPT1 (0.51) CEPT1AGPAT2TOP2ANPC1RAB9A
SCHEMBL6670101 0.71 NPC1 (0.42) FASNAGPAT2TMEM97HRH4NPC1
SCHEMBL6084212 0.71 CEPT1 (0.51) CEPT1AGPAT2NPC1RAB9ACYP3A4

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-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO disclosed