SCHEMBL30753720

SCHEMBL30753720

NCCC[C@H](N)C(=O)N[C@H](CC(=O)Nc1ccc2ccccc2c1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ SLC1A3 P43003 3/20 0.47
▸ SLC1A2 P43004 3/20 0.47
▸ SLC1A1 P43005 3/20 0.47
▸ LTA4H P09960 1/20 0.46
▸ MMP2 P08253 1/20 0.45
▸ CYP1A2 P05177 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TERT O14746 2/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 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
SCHEMBL30753700 0.94 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2GAASLC1A3SLC1A2
SCHEMBL30753730 0.92 MC4R (0.45) RAB9ASMN1; SMN2GAASLC1A3SLC1A2
SCHEMBL30753712 0.92 RAB9A (0.47) RAB9ASMN1; SMN2GAASLC1A3SLC1A2
SCHEMBL30753723 0.92 LTA4H (0.58) LTA4H
SCHEMBL30753733 0.91 RAB9A (0.45) RAB9ASMN1; SMN2GAASLC1A3SLC1A2
SCHEMBL30753725 0.90 MEN1 (0.44) RAB9ASMN1; SMN2GAASLC1A3SLC1A2
SCHEMBL30753715 0.90 RAB9A (0.44) RAB9ASMN1; SMN2GAASLC1A3SLC1A2
SCHEMBL30753734 0.89 RAB9A (0.41) RAB9ASMN1; SMN2GAASLC1A3SLC1A2
SCHEMBL30753716 0.86 HDAC6 (0.48) RAB9ASMN1; SMN2LTA4HMMP2MEN1
SCHEMBL7860801 0.85 LTA4H (0.51) SMN1; SMN2LTA4HMMP2

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-117486762-A Novel compound and use method and application thereof 中国医学科学院医药生物技术研究所 2024-02-02 — — CN disclosed
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