SCHEMBL31648010

SCHEMBL31648010

CCCCCNc1ccc2ccc(NC(=O)CC(C)(C)C)nc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HCAR3 P49019 2/20 0.43
▸ ADORA1 P30542 1/20 0.40
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNB4 P30926 2/20 0.38
▸ CHRNA3 P32297 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ GLA P06280 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ DEGS1 O15121 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ CNR1 P21554 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL31648474 0.79 FGFR1 (0.48) GLAFGFR1
SCHEMBL16019053 0.74 TLR8 (0.46) HCAR3TLR8DNM2
SCHEMBL31648334 0.73 HPGD (0.42) RAB9ANPC1HPGDADORA1FGFR1
SCHEMBL31648433 0.73 FGFR1 (0.45) HCAR3GLAFGFR1
SCHEMBL31648525 0.73 TLR8 (0.49) HCAR3TLR8DNM2
SCHEMBL31647929 0.71 HCAR3 (0.41) HCAR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16019055 0.69 TLR8 (0.51) HPGDHCAR3MAPK1SMN1; SMN2HTT
SCHEMBL547309 0.69 TLR8 (0.48) NPC1HCAR3TLR8DNM2
SCHEMBL31647687 0.68 FGFR1 (0.62) GLAFGFR1
SCHEMBL19116524 0.65 ADORA1 (0.51) RAB9ANPC1HPGDADORA1SMN1; 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
WO-2025132449-A1 NOVEL COMPOUNDS FOR HOST DIRECTED ANTIVIRAL STRATEGY SORBONNE UNIVERSITE (FR) 2025-06-26 — — WO disclosed
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