SCHEMBL21580147

SCHEMBL21580147

O=C(NCc1ccc(O)cc1)c1ccn2ccnc2c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 0.65
HDAC1 Q13547 2/20 0.50
KDM1A O60341 1/20 0.50
CYP2C9 P11712 1/20 0.49

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
SCHEMBL28409528 0.89 NAMPT (0.64) NAMPTHDAC1CYP2C9
SCHEMBL28410809 0.85 NAMPT (0.60) NAMPTHDAC1CYP2C9
SCHEMBL21580119 0.81 MLLT1 (0.55) NAMPTHDAC1KDM1A
SCHEMBL168623 0.80 NAMPT (0.78) NAMPTCYP2C9
SCHEMBL21580112 0.80 NAMPT (0.52) NAMPTHDAC1CYP2C9
SCHEMBL23089629 0.80 NAMPT (0.53) NAMPTHDAC1
SCHEMBL21580130 0.79 NAMPT (0.59) NAMPTHDAC1
SCHEMBL16108024 0.79 NAMPT (1.00) NAMPT
SCHEMBL15246208 0.79 NAMPT (0.68) NAMPTCYP2C9
SCHEMBL21580108 0.79 NAMPT (0.60) NAMPTHDAC1

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-2019218024-A1 PAIN TREATING COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-11-21 WO disclosed