SCHEMBL28972489

SCHEMBL28972489

CCn1c2ccc(CNc3nc4ccccc4[nH]3)cc2c2c3ccccc3ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ TP53 P04637 2/20 0.49
▸ LMNA P02545 4/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ GAA P10253 3/20 0.45
▸ HTT P42858 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ S1PR2 O95136 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ TRPC3 Q13507 1/20 0.42
▸ TRPC4 Q9UBN4 1/20 0.42
▸ TRPC5 Q9UL62 1/20 0.42
▸ GFER P55789 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ MGAM O43451 1/20 0.41

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
SCHEMBL28972296 0.89 RAB9A (0.54) RAB9ASMN1; SMN2TP53LMNAKMT2A
SCHEMBL28972244 0.80 MAPK1 (0.54) RAB9ASMN1; SMN2TP53LMNAKMT2A
SCHEMBL28972163 0.77 LMNA (0.48) RAB9ASMN1; SMN2TP53LMNAKMT2A
SCHEMBL30063917 0.77 LMNA (0.48) RAB9ASMN1; SMN2TP53LMNAKMT2A
SCHEMBL28972487 0.75 LMNA (0.45) RAB9ASMN1; SMN2TP53LMNAKMT2A
SCHEMBL30061980 0.75 LMNA (0.45) RAB9ASMN1; SMN2TP53LMNAKMT2A
SCHEMBL9779159 0.72 ALDH1A1 (0.43) RAB9ATP53LMNAKMT2AMEN1
SCHEMBL7973577 0.71 GAA (0.60) SMN1; SMN2LMNAKMT2ANPC1MEN1
SCHEMBL19271272 0.71 MAPT (0.44) RAB9ASMN1; SMN2LMNAKMT2ANPC1
Hydrochloric Acid SCHEMBL9778906 0.71 KMT2A (0.42) RAB9ATP53LMNAKMT2AMEN1

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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