SCHEMBL23747738

SCHEMBL23747738

O=C(NCc1ccc(Cl)cc1)Nc1ccc(CNC2CC[S+]([O-])C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
NPC1 O15118 3/20 0.54
POLB P06746 1/20 0.54
NAMPT P43490 5/20 0.51
LSS P48449 1/20 0.51
ERCC1 P07992 1/20 0.49
ERCC4 Q92889 1/20 0.49
CHRM1 P11229 1/20 0.48
HTR2A P28223 1/20 0.48
MCHR1 Q99705 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
EPHX1 P07099 1/20 0.47
EPHX2 P34913 2/20 0.46
CNR1 P21554 1/20 0.45
TP53 P04637 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
SCHEMBL23747739 0.80 LSS (0.60) RAB9ANPC1POLBNAMPTLSS
SCHEMBL23728168 0.79 ALDH1A1 (0.65) RAB9ANPC1POLBNAMPTLSS
SCHEMBL23747629 0.79 ALDH1A1 (0.65) RAB9ANPC1POLBNAMPTLSS
SCHEMBL23747630 0.79 ALDH1A1 (0.65) RAB9ANPC1POLBNAMPTLSS
SCHEMBL23728173 0.76 RAB9A (0.55) RAB9ANPC1POLBNAMPTLSS
SCHEMBL23747548 0.74 RAB9A (0.66) RAB9ANPC1POLBNAMPTLSS
SCHEMBL23747713 0.74 RAB9A (0.66) RAB9ANPC1POLBNAMPTLSS
SCHEMBL23747596 0.72 RAB9A (0.63) RAB9ANPC1POLBNAMPTLSS
SCHEMBL23727986 0.72 RAB9A (0.75) RAB9ANPC1POLBNAMPTLSS
SCHEMBL23727642 0.72 RAB9A (0.75) RAB9ANPC1POLBNAMPTLSS

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