SCHEMBL23747288

SCHEMBL23747288

Cc1ccc(CNC(=O)Nc2ccc(CC(=O)N3CC(F)(CO)C3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
NAMPT P43490 3/20 0.46
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL26102016 0.89 RAB9A (0.57) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL26100621 0.88 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL26547377 0.79 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL23747429 0.78 RAB9A (0.61) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL23728210 0.78 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL26549469 0.78 NPC1 (0.60) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL23747558 0.75 RAB9A (0.60) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL23747805 0.74 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL16946645 0.74 NPC1 (0.84) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL26031482 0.73 ALDH1A1 (0.55) SMN1; SMN2KMT2AMEN1HPGDCYP3A4

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