SCHEMBL4783374

SCHEMBL4783374

Cc1ncc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1-n1cc(C(=O)NCC(C)(C)C)nn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDT P30046 2/20 0.42
NPSR1 Q6W5P4 1/20 0.40
GPR142 Q7Z601 10/20 0.40
ALDH1A1 P00352 3/20 0.39
MIF P14174 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL4783370 0.91 DDT (0.38) DDTNPSR1GPR142MIFKDM4E
SCHEMBL4782241 0.79 RAF1 (0.44)
SCHEMBL4730805 0.78 DDT (0.42) DDT
SCHEMBL4778561 0.78 DDT (0.45) DDTALDH1A1NPC1TP53RAB9A
SCHEMBL4779210 0.77 TEK (0.41) DDTMIF
SCHEMBL4784000 0.76 DDT (0.34) DDTMIF
SCHEMBL4781668 0.76 MIF (0.39) DDTMIF
SCHEMBL14292741 0.75 MIF (0.38) DDTMIF
SCHEMBL4782901 0.75 BRAF (0.45) DDT
SCHEMBL4782092 0.74 BRAF (0.34) DDTNPSR1TP53RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed