SCHEMBL9412643

SCHEMBL9412643

CC(C)Nc1[nH]c(=O)[nH]c(=O)c1N=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
G6PD P11413 1/20 0.32
TYMP P19971 3/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CDK2 P24941 1/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL31301123 0.74 GPR84 (0.67) GPR84CTDSP1G6PDTYMP
SCHEMBL5443895 0.67 GPR84 (0.54) GPR84RAB9AG6PDTYMPKDM4E
SCHEMBL4447661 0.64 GPR84 (0.47) GPR84SMN1; SMN2G6PDTYMPGAA
SCHEMBL16543124 0.62 GPR84 (0.39) GPR84CTDSP1RAB9ACDK1CDK4
SCHEMBL15018449 0.59 GPR84 (0.39) GPR84G6PDTYMPCDK1CDK4
SCHEMBL28181795 0.59 JAK2 (0.53) GPR84RAB9AG6PDCDK1CDK4
SCHEMBL27906010 0.53 TSHR (0.36) RAB9ATYMP
SCHEMBL13420239 0.52 RPS6KA3 (0.37) SMN1; SMN2CTDSP1RAB9ANPC1TYMP
SCHEMBL8408224 0.52 RPS6KA3 (0.69) SMN1; SMN2RAB9ANPC1GAAKDM4E
SCHEMBL21941231 0.52 RPS6KA3 (0.69) SMN1; SMN2RAB9ANPC1GAAKDM4E

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
EP-0611660-A2 Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1994-08-24 EP disclosed