SCHEMBL31020123

SCHEMBL31020123

Cc1cc(Br)cnc1NC(=O)CC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNQ2 O43526 6/20 0.42
KCNQ3 O43525 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA2A P29274 3/20 0.39
ADORA1 P30542 2/20 0.39
GAA P10253 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL25249356 1.00 L3MBTL1 (0.47) L3MBTL1ALDH1A1NPC1HPGDMEN1
SCHEMBL7933385 0.82 ALDH1A1 (0.44) ALDH1A1NPC1HPGDMEN1KMT2A
SCHEMBL2325843 0.82 ALDH1A1 (0.47) L3MBTL1ALDH1A1NPC1HPGDMEN1
SCHEMBL25366886 0.79 NPC1 (0.49) ALDH1A1NPC1SMN1; SMN2HSD17B10GAA
SCHEMBL31241017 0.78 RAB9A (0.58) ALDH1A1NPC1HPGDMEN1KMT2A
SCHEMBL760353 0.78 NPC1 (0.48) L3MBTL1ALDH1A1NPC1MEN1KMT2A
SCHEMBL1181471 0.77 AAK1 (0.51) ALDH1A1NPC1SMN1; SMN2AAK1RAB9A
SCHEMBL17593229 0.76 NPC1 (0.47) ALDH1A1NPC1SMN1; SMN2HTTMAPT
SCHEMBL751185 0.76 L3MBTL1 (0.65) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL21879283 0.76 ADORA1 (0.38) L3MBTL1ALDH1A1NPC1HPGDMEN1

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-118451079-A Benzopiperidine derivative modulators, methods of preparation and uses thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed