SCHEMBL31542297

SCHEMBL31542297

O=C(OCc1ccccc1)N1CCOc2cc(Br)ccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
P2RX4 Q99571 2/20 0.44
P2RX1 P51575 1/20 0.44
P2RX3 P56373 1/20 0.44
GRM5 P41594 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
NAAA Q02083 3/20 0.42
NOTUM Q6P988 1/20 0.41
MAPT P10636 1/20 0.41
FAAH O00519 1/20 0.41
DGAT1 O75907 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL2435245 0.88 NPC1 (0.53) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL8446716 0.86 NPC1 (0.51) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL16193419 0.85 RAB9A (0.61) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL25734267 0.84 NPC1 (0.49) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL20625743 0.83 NPC1 (0.48) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL8446674 0.82 NPC1 (0.47) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL20571516 0.81 NPC1 (0.51) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL15052260 0.81 NPC1 (0.48) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL29906775 0.80 SMN1; SMN2 (0.46) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL31331181 0.80 NPC1 (0.72) NPC1RAB9AL3MBTL1MEN1KMT2A

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-2025062330-A1 HETEROCYCLIC COMPOUNDS AS CBP SELECTIVE DEGRADERS AURIGENE ONCOLOGY LIMITED (IN) 2025-03-27 WO disclosed