SCHEMBL28972248

SCHEMBL28972248

CCn1c2ccccc2c2cc(CNC(C)c3nc4ccccc4[nH]3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ GAA P10253 2/20 0.48
▸ MGAM O43451 1/20 0.48
▸ SI P14410 1/20 0.48
▸ MGAM2 Q2M2H8 1/20 0.48
▸ NPY5R Q15761 7/20 0.45
▸ KDM4E B2RXH2 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTT P42858 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ PRMT5 O14744 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 4/20 0.40
▸ TP53 P04637 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
SCHEMBL28972246 1.00 ALDH1A1 (0.52) ALDH1A1KMT2AL3MBTL1GAAMGAM
SCHEMBL30218920 1.00 ALDH1A1 (0.52) ALDH1A1KMT2AL3MBTL1GAAMGAM
SCHEMBL28972296 0.81 RAB9A (0.54) ALDH1A1KMT2AL3MBTL1GAAMGAM
SCHEMBL541005 0.78 KMT2A (0.65) ALDH1A1KMT2AL3MBTL1NPY5RKDM4E
SCHEMBL541006 0.78 KMT2A (0.65) ALDH1A1KMT2AL3MBTL1NPY5RKDM4E
SCHEMBL13958870 0.77 KMT2A (0.67) ALDH1A1KMT2AL3MBTL1NPY5RKDM4E
SCHEMBL541216 0.76 KMT2A (0.57) ALDH1A1KMT2AL3MBTL1NPY5RKDM4E
SCHEMBL541215 0.76 KMT2A (0.57) ALDH1A1KMT2AL3MBTL1NPY5RKDM4E
SCHEMBL30523185 0.73 KMT2A (0.61) ALDH1A1KMT2AL3MBTL1NPY5RKDM4E
SCHEMBL20181195 0.73 KMT2A (0.61) ALDH1A1KMT2AL3MBTL1NPY5RKDM4E

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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