SCHEMBL23320568

SCHEMBL23320568

COCCOc1ccccc1-n1cc2ccc(N(C(N)=O)C(C)c3ccncc3)cc2n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.33
▸ YWHAG P61981 1/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ NOTUM Q6P988 1/20 0.31
▸ GCG P01275 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ATM Q13315 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL23320396 0.83 NAMPT (0.36) SCN9ANAMPTPOLBMAPTMAPK1
SCHEMBL23320566 0.82 NAMPT (0.35) SCN9ANAMPTKDM4EPOLBMAPT
SCHEMBL23320378 0.78 ADORA3 (0.37) NAMPTMAPK1ADORA3ADORA1
SCHEMBL23320370 0.73 KDM4E (0.43) SCN9AKDM4EMAPTATMADORA3
SCHEMBL30943200 0.71 NAMPT (0.67) NAMPTHTT
SCHEMBL24042559 0.71 NAMPT (0.67) NAMPTHTT
SCHEMBL23320407 0.71 FBP1 (0.38) KDM4EMAPTHTTADORA3ADORA1
SCHEMBL23320491 0.70 ALDH1A1 (0.38) —
SCHEMBL23320489 0.69 CHEK1 (0.37) KDM4E
SCHEMBL23320412 0.66 MEN1 (0.39) NAMPTKDM4EPKMPOLBMAPT

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-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 — — EP disclosed
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