SCHEMBL31471645

SCHEMBL31471645

O=C1CCCc2c1ccn2C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTRB1 P17538 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.43
BRD4 O60885 1/20 0.41
HTR2C P28335 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
P2RX4 Q99571 2/20 0.41
CSNK2A2 P19784 1/20 0.41

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
SCHEMBL13477016 0.77 HPGD (0.43) L3MBTL1SMN1; SMN2GAAMAOAMAOB
SCHEMBL17675590 0.74 RAB9A (0.64) NPC1RAB9AL3MBTL1CTRB1SMN1; SMN2
SCHEMBL8526862 0.73 P2RX4 (0.55) NPC1RAB9AL3MBTL1CTRB1SMN1; SMN2
SCHEMBL983021 0.72 RAB9A (0.69) NPC1RAB9AL3MBTL1CTRB1SMN1; SMN2
SCHEMBL11275611 0.72 BRD4 (0.57) RAB9AL3MBTL1SMN1; SMN2GAAMAOA
SCHEMBL31350203 0.71 NPC1 (0.57) NPC1RAB9AL3MBTL1CTRB1SMN1; SMN2
SCHEMBL3445913 0.71 BUB1 (0.60) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL520065 0.71 NPC1 (0.59) NPC1RAB9AL3MBTL1CTRB1SMN1; SMN2
SCHEMBL22909234 0.71 ALDH1A1 (0.49) NPC1RAB9AL3MBTL1CTRB1SMN1; SMN2
SCHEMBL22638725 0.71 NPC1 (0.63) NPC1RAB9AL3MBTL1CTRB1SMN1; SMN2

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
CN-119707774-A Bromination method of microwave-assisted 1,5,6, 7-tetrahydro-4H-indol-4-one derivative 浙江工业大学 2025-03-28 CN disclosed