SCHEMBL28972296

SCHEMBL28972296

CCn1c2ccccc2c2cc(CNc3nc4ccccc4[nH]3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ TP53 P04637 1/20 0.54
▸ LMNA P02545 5/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ GAA P10253 3/20 0.51
▸ MGAM O43451 1/20 0.51
▸ SI P14410 1/20 0.51
▸ MGAM2 Q2M2H8 1/20 0.51
▸ HTT P42858 4/20 0.49
▸ MAPT P10636 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ S1PR2 O95136 1/20 0.49
▸ NPY5R Q15761 5/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ BCHE P06276 1/20 0.46
▸ TRPC3 Q13507 1/20 0.46

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
SCHEMBL28972489 0.89 RAB9A (0.49) RAB9ASMN1; SMN2TP53LMNAKMT2A
SCHEMBL28972163 0.83 LMNA (0.48) RAB9ASMN1; SMN2TP53LMNAKMT2A
SCHEMBL30063917 0.83 LMNA (0.48) RAB9ASMN1; SMN2TP53LMNAKMT2A
SCHEMBL7973577 0.82 GAA (0.60) SMN1; SMN2LMNAKMT2ANPC1MEN1
SCHEMBL30218920 0.81 ALDH1A1 (0.52) SMN1; SMN2TP53LMNAKMT2ANPC1
SCHEMBL28972246 0.81 ALDH1A1 (0.52) SMN1; SMN2TP53LMNAKMT2ANPC1
SCHEMBL28972248 0.81 ALDH1A1 (0.52) SMN1; SMN2TP53LMNAKMT2ANPC1
SCHEMBL30061980 0.79 LMNA (0.45) RAB9ASMN1; SMN2TP53LMNAKMT2A
SCHEMBL28972166 0.78 NPC1 (0.60) RAB9ASMN1; SMN2TP53LMNAKMT2A
SCHEMBL20181195 0.76 KMT2A (0.61) SMN1; SMN2TP53LMNAKMT2AMEN1

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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