SCHEMBL27921983

SCHEMBL27921983

CC(NC(=O)c1cc(Cl)cc(CN)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
DHODH Q02127 3/20 0.35
NAMPT P43490 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
MALT1 Q9UDY8 7/20 0.32
RIPK1 Q13546 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL29416624 0.91 IDO1 (0.38) IDO1DHODHNAMPTNPC1RAB9A
SCHEMBL196132 0.91 IDO1 (0.38) IDO1DHODHNAMPTNPC1RAB9A
SCHEMBL230723 0.90 IDO1 (0.38) IDO1DHODHNAMPTNPC1RAB9A
SCHEMBL29355401 0.90 IDO1 (0.38) IDO1DHODHNAMPTNPC1RAB9A
SCHEMBL29416636 0.90 IDO1 (0.38) IDO1DHODHNAMPTNPC1RAB9A
SCHEMBL27174182 0.90 IDO1 (0.38) IDO1DHODHNAMPTNPC1RAB9A
SCHEMBL195314 0.89 DHODH (0.40) IDO1DHODHNAMPTNPC1RAB9A
SCHEMBL29416550 0.89 DHODH (0.40) IDO1DHODHNAMPTNPC1RAB9A
SCHEMBL27727960 0.86 DHODH (0.38) DHODHMALT1F10
SCHEMBL31438692 0.84 DHODH (0.41) IDO1DHODHNAMPTNPC1RAB9A

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
CN-103140135-A Copulation disruption agent for sap-sucking pests ISHIHARA SANGYO KAISHA 2013-06-05 CN disclosed