SCHEMBL28972487

SCHEMBL28972487

CCn1c2c(c3cc(CNc4nc5ccccc5[nH]4)ccc31)CC(C)(C)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ GAA P10253 1/20 0.41
▸ SCARB1 Q8WTV0 2/20 0.39
▸ HTT P42858 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ S1PR2 O95136 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ TRPC3 Q13507 1/20 0.38
▸ TRPC4 Q9UBN4 1/20 0.38
▸ TRPC5 Q9UL62 1/20 0.38
▸ GFER P55789 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ PKM P14618 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
SCHEMBL30061980 1.00 LMNA (0.45) LMNARAB9AKMT2AMEN1NPC1
SCHEMBL30063129 0.82 NPC1 (0.47) LMNARAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL28972120 0.82 NPC1 (0.47) LMNARAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL30063043 0.80 RAB9A (0.42) LMNARAB9AKMT2AMEN1NPC1
SCHEMBL28972240 0.80 RAB9A (0.42) LMNARAB9AKMT2AMEN1NPC1
SCHEMBL28972296 0.79 RAB9A (0.54) LMNARAB9AKMT2AMEN1NPC1
SCHEMBL28972486 0.79 SMN1; SMN2 (0.54) LMNASMN1; SMN2TP53GAAHTT
SCHEMBL30218931 0.79 SMN1; SMN2 (0.54) LMNASMN1; SMN2TP53GAAHTT
SCHEMBL28972489 0.75 RAB9A (0.49) LMNARAB9AKMT2AMEN1NPC1
SCHEMBL28972163 0.70 LMNA (0.48) LMNARAB9AKMT2AMEN1NPC1

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-115667224-A SCL15A4 small molecule inhibitors with anti-inflammatory activity 斯克里普斯研究学院 2023-01-31 — — CN disclosed
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