SCHEMBL31241081

SCHEMBL31241081

CCCCC(=O)Nc1ccc(Br)c(F)n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ DEGS1 O15121 1/20 0.50
▸ MAPK10 P53779 1/20 0.48
▸ ADORA1 P30542 2/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL31241039 0.84 RAB9A (0.65) RAB9ASMN1; SMN2L3MBTL1MAPK1NPC1
SCHEMBL15305700 0.77 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2L3MBTL1MAPK1NPC1
SCHEMBL30008310 0.77 SMN1; SMN2 (0.76) RAB9ASMN1; SMN2L3MBTL1MAPK1NPC1
SCHEMBL30008066 0.77 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2L3MBTL1MAPK1NPC1
SCHEMBL30008144 0.77 RAB9A (1.00) RAB9ASMN1; SMN2L3MBTL1MAPK1NPC1
SCHEMBL31241128 0.76 RAB9A (0.60) RAB9ASMN1; SMN2L3MBTL1MAPK1NPC1
SCHEMBL21555674 0.75 RAB9A (0.42) RAB9ASMN1; SMN2L3MBTL1MAPK1NPC1
SCHEMBL15968991 0.74 RAB9A (0.61) RAB9ASMN1; SMN2L3MBTL1MAPK1NPC1
SCHEMBL31241071 0.72 RAB9A (0.97) RAB9ASMN1; SMN2L3MBTL1MAPK1NPC1
SCHEMBL1849856 0.72 SMN1; SMN2 (0.73) RAB9ASMN1; SMN2L3MBTL1MAPK1NPC1

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-118812505-A PI5P4K gamma inhibitor compound, pharmaceutical composition, and preparation method and application thereof 贵州医科大学 2024-10-22 — — CN disclosed
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