SCHEMBL998206

SCHEMBL998206

O=C(NCc1ccc(C(=O)Nc2cccnc2)cc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 1.00
TRPV1 Q8NER1 3/20 0.67
LMNA P02545 2/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
GAA P10253 1/20 0.67
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
HIF1A Q16665 1/20 0.62
TP53 P04637 1/20 0.62
RECQL P46063 1/20 0.62

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
SCHEMBL1048281 0.88 NAMPT (1.00) NAMPTTRPV1LMNANPC1RAB9A
SCHEMBL16286298 0.87 MEN1 (0.81) NAMPTLMNAGAAMEN1KMT2A
SCHEMBL12078582 0.87 NAMPT (0.84) NAMPTTRPV1GAAMEN1KMT2A
SCHEMBL167081 0.86 NAMPT (1.00) NAMPTLMNANPC1RAB9AGAA
SCHEMBL995725 0.85 NAMPT (1.00) NAMPT
Hydrochloric Acid SCHEMBL27890956 0.84 NAMPT (0.97) NAMPTLMNANPC1RAB9AGAA
SCHEMBL12078119 0.83 LMNA (0.79) NAMPTTRPV1LMNARAB9AGAA
SCHEMBL1078768 0.82 NAMPT (1.00) NAMPTTRPV1MEN1KMT2A
SCHEMBL354041 0.82 TSHR (0.76) NAMPTNPC1RAB9AGAAMEN1
SCHEMBL1161997 0.82 NAMPT (0.75) NAMPTTRPV1LMNAGAAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO claimed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO disclosed