SCHEMBL18230448

SCHEMBL18230448

N#Cc1sc(NC(=O)c2ccc(Cc3ccccc3)cc2)nc1-c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.54
▸ ADORA1 P30542 3/20 0.54
▸ ADORA3 P0DMS8 9/20 0.47
▸ KDM4A O75164 1/20 0.47
▸ KDM4B O94953 1/20 0.47
▸ KDM5B Q9UGL1 1/20 0.47
▸ ADORA2B P29275 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ GRM1 Q13255 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PLTP P55058 1/20 0.43
▸ TRPV4 Q9HBA0 1/20 0.42
▸ SCD O00767 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL18230296 0.84 TRPV1 (0.54) ADORA2AADORA1ADORA3KDM4AKDM4B
SCHEMBL18230294 0.84 TRPV1 (0.54) ADORA2AADORA1ADORA3KDM4AKDM4B
SCHEMBL18230411 0.84 ADORA3 (0.61) ADORA2AADORA1ADORA3MEN1KMT2A
SCHEMBL19638116 0.83 ADORA2A (0.54) ADORA2AADORA1ADORA3KDM4AKDM4B
SCHEMBL18230409 0.82 ADORA2A (0.50) ADORA2AADORA1ADORA3KDM4AKDM4B
SCHEMBL18230423 0.82 ADORA3 (0.61) ADORA2AADORA1ADORA3KDM4AKDM4B
SCHEMBL30309324 0.82 ADORA2A (0.49) ADORA2AADORA1ADORA3MEN1KMT2A
SCHEMBL22331534 0.82 ADORA2A (0.49) ADORA2AADORA1ADORA3MEN1KMT2A
SCHEMBL18230414 0.81 ADORA2A (0.51) ADORA2AADORA1ADORA3KDM4AKDM4B
SCHEMBL18230512 0.81 GRM1 (0.53) ADORA2AADORA1ADORA3KDM4AKDM4B

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
WO-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 — — WO disclosed
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