SCHEMBL23747796

SCHEMBL23747796

C=C(Cc1ccc(NC(=O)NCc2ccc(OC)cc2)cc1)NCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.74
RAB9A P51151 5/20 0.74
SMN1; SMN2 Q16637 2/20 0.65
HIF1A Q16665 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
ALDH1A1 P00352 3/20 0.59
POLB P06746 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 1/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
FPR2 P25090 1/20 0.57
MAOB P27338 1/20 0.56
RORC P51449 1/20 0.55
CA2 P00918 1/20 0.55
ROCK2 O75116 1/20 0.55

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
SCHEMBL8175404 0.89 RAB9A (0.89) NPC1RAB9ASMN1; SMN2HIF1AHDAC1
SCHEMBL26097972 0.88 NPC1 (0.80) NPC1RAB9ASMN1; SMN2HIF1AHDAC1
SCHEMBL5427744 0.86 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HIF1AHDAC1
SCHEMBL23728269 0.85 POLB (0.81) NPC1RAB9ASMN1; SMN2HIF1AHDAC1
SCHEMBL17916794 0.84 SMN1; SMN2 (0.88) NPC1RAB9ASMN1; SMN2HIF1AHDAC1
SCHEMBL17831080 0.84 NPC1 (0.84) NPC1RAB9ASMN1; SMN2HIF1AHDAC1
SCHEMBL23747763 0.83 NPC1 (0.78) NPC1RAB9ASMN1; SMN2HIF1AHDAC1
SCHEMBL23747392 0.82 SMN1; SMN2 (0.75) NPC1RAB9ASMN1; SMN2HIF1AHDAC1
SCHEMBL26101164 0.81 NPC1 (0.80) NPC1RAB9ASMN1; SMN2HIF1AHDAC1
SCHEMBL30361459 0.81 SMN1; SMN2 (0.78) NPC1RAB9ASMN1; SMN2HIF1AHDAC1

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-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed