SCHEMBL28582805

SCHEMBL28582805

CNC(=O)c1ccc(Cn2c(C(=O)NC3CCC(C)CC3)cc3ccc(NC(=O)O)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.45
▸ CNR1 P21554 3/20 0.45
▸ CNR2 P34972 3/20 0.45
▸ BRD4 O60885 5/20 0.44
▸ NPC1 O15118 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TRIM24 O15164 1/20 0.40
▸ BRD1 O95696 1/20 0.40
▸ CCL2 P13500 1/20 0.40
▸ TAF1 P21675 1/20 0.40
▸ BRD2 P25440 1/20 0.40
▸ SMARCA2 P51531 1/20 0.40
▸ SMARCA4 P51532 1/20 0.40
▸ BRPF1 P55201 1/20 0.40
▸ EP300 Q09472 1/20 0.40
▸ BPTF Q12830 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ BRD3 Q15059 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
SCHEMBL28594051 0.95 F10 (0.47) F10CNR1CNR2NPC1MEN1
SCHEMBL28575354 0.91 CNR1 (0.43) F10CNR1CNR2NPC1MEN1
SCHEMBL28915335 0.90 F10 (0.43) F10CNR1CNR2BRD4NPC1
SCHEMBL21822826 0.85 F10 (0.45) F10CNR1CNR2NPC1MEN1
SCHEMBL28961404 0.84 SMYD3 (0.46) F10
SCHEMBL28961405 0.84 SMYD3 (0.46) F10
SCHEMBL28575297 0.82 SMYD3 (0.45) F10
SCHEMBL28575296 0.82 SMYD3 (0.45) F10
SCHEMBL28573808 0.81 MAPT (0.47) F10RAB9ASMN1; SMN2
SCHEMBL28573811 0.81 MAPT (0.47) F10RAB9ASMN1; 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-112996529-A Matriptase 2 inhibitor and application thereof 迪斯克医药公司 2021-06-18 — — CN disclosed
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