SCHEMBL21973196

SCHEMBL21973196

N#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3ccccc32)c(C#N)c(-c2ccccc2)c1-n1ccc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 1/20 0.39
▸ HTR3A P46098 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ PDE9A O76083 2/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ CYP11B2 P19099 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ BIRC5 O15392 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ PRKCA P17252 1/20 0.33

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
SCHEMBL22216776 0.87 HTR3A (0.45) HTR3AKDM4EALDH1A1LMNANPSR1
SCHEMBL25765926 0.84 HTR3A (0.43) HTR3AKDM4EALDH1A1LMNANPSR1
SCHEMBL24623400 0.84 PDE9A (0.44) HTR3AKDM4EALDH1A1LMNANPSR1
SCHEMBL22648994 0.83 ALDH1A1 (0.44) ENPP3KDM4EALDH1A1LMNANPSR1
SCHEMBL21437111 0.83 HTR3A (0.44) HTR3AKDM4EALDH1A1LMNANPSR1
SCHEMBL21437141 0.83 HTR3A (0.44) HTR3AKDM4EALDH1A1LMNANPSR1
SCHEMBL23057289 0.82 HTR3A (0.43) HTR3AKDM4EALDH1A1LMNANPSR1
SCHEMBL22140560 0.81 HTR3A (0.45) HTR3AKDM4EALDH1A1LMNANPSR1
SCHEMBL13921497 0.81 HTR3A (0.45) HTR3AKDM4EALDH1A1LMNANPSR1
SCHEMBL21973040 0.81 HTR3A (0.45) HTR3AKDM4EALDH1A1LMNANPSR1

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-3647392-A1 LIGHT-EMITTING MATERIAL, COMPOUND, LONG-PERSISTENT PHOSPHOR AND LIGHT-EMITTING ELEMENT Kyulux, Inc. (JP) 2020-05-06 — — EP disclosed
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