SCHEMBL23747780

SCHEMBL23747780

COc1ccc(CNC(=O)Nc2ccc(C3CCNC3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ROCK2 O75116 1/20 0.53

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
SCHEMBL23728178 0.85 JAK3 (0.79) JAK3
SCHEMBL23728179 0.85 JAK3 (0.79) JAK3
SCHEMBL6919623 0.85 JAK3 (1.00) JAK3
Hydrochloric Acid SCHEMBL1993126 0.84 JAK3 (0.98) JAK3
SCHEMBL26099534 0.81 SMN1; SMN2 (0.61) JAK3SMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL23727836 0.81 SMN1; SMN2 (0.56) JAK3SMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL26100197 0.81 SMN1; SMN2 (0.56) JAK3SMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL26100564 0.81 SMN1; SMN2 (0.56) JAK3SMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL23727833 0.81 SMN1; SMN2 (0.56) JAK3SMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL23747466 0.81 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AHDAC1HDAC6

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