SCHEMBL30503533

SCHEMBL30503533

Cc1cn(C)c2nc(Cl)ccc12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.34
KDM4E B2RXH2 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
POLB P06746 1/20 0.31
IDO1 P14902 1/20 0.31
LRRK2 Q5S007 1/20 0.31
ALDH1A1 P00352 1/20 0.30
BRD4 O60885 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
SCHEMBL12889638 1.00 MAT2A (0.34) MAT2AKDM4EPTGDR2POLBIDO1
SCHEMBL12889714 0.81 NOS3 (0.42) KDM4EALDH1A1
SCHEMBL15031283 0.80 KMT2A (0.37) MAT2AKDM4EALDH1A1
SCHEMBL30503542 0.79 MAT2A (0.33) MAT2AIDO1LRRK2
SCHEMBL21589013 0.79 HASPIN (0.37) MAT2AIDO1LRRK2BRD4
SCHEMBL26631307 0.79 MAT2A (0.33) MAT2AIDO1LRRK2
SCHEMBL22824052 0.78 MAT2A (0.36) MAT2APTGDR2
SCHEMBL29365650 0.78 MAT2A (0.36) MAT2APTGDR2
SCHEMBL15333670 0.77
SCHEMBL20132721 0.77

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-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed