SCHEMBL28210210

SCHEMBL28210210

CCc1cccc(N(N)c2cccc(CN)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.49
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
PNMT P11086 1/20 0.42
ENPP2 Q13822 1/20 0.42
LOXL2 Q9Y4K0 2/20 0.41

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
SCHEMBL13142794 0.82 SIGMAR1 (0.47) SIGMAR1
SCHEMBL29906073 0.82 LOXL2 (0.55) NOS1NOS2PNMTENPP2LOXL2
SCHEMBL284046 0.82 LOXL2 (0.55) NOS1NOS2PNMTENPP2LOXL2
Hydrochloric Acid SCHEMBL922121 0.80 NOS1 (0.53) SIGMAR1NOS1NOS2PNMTENPP2
SCHEMBL28858466 0.79 HTR2A (0.40) NOS1NOS2
SCHEMBL10130332 0.79 SIGMAR1 (0.53) SIGMAR1
SCHEMBL18469383 0.79 SIGMAR1 (0.49) SIGMAR1
Methane SCHEMBL27646155 0.78 NOS1 (0.52) SIGMAR1NOS1NOS2PNMTENPP2
SCHEMBL28858401 0.77 SKP2 (0.41)
SCHEMBL3510031 0.77 ALDH1A1 (0.55) NOS1NOS2PNMTENPP2LOXL2

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-105985464-B Solid catalytic component for olefin polymerization and catalyst thereof 中国石油天然气股份有限公司 2018-04-03 CN disclosed