SCHEMBL30753712

SCHEMBL30753712

Cc1ccc(C[C@@H](CC(=O)Nc2ccc3ccccc3c2)NC(=O)[C@@H](N)CCCN)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ NPC1 O15118 2/20 0.42
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP1A2 P05177 2/20 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
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ BDKRB2 P30411 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TERT O14746 3/20 0.39

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
SCHEMBL30753720 0.92 RAB9A (0.47) RAB9ASMN1; SMN2GAANPC1SLC1A3
SCHEMBL30753700 0.92 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2GAANPC1SLC1A3
SCHEMBL30753733 0.91 RAB9A (0.45) RAB9ASMN1; SMN2GAANPC1SLC1A3
SCHEMBL30753730 0.91 MC4R (0.45) RAB9ASMN1; SMN2GAANPC1SLC1A3
SCHEMBL30753715 0.90 RAB9A (0.44) RAB9ASMN1; SMN2GAANPC1SLC1A3
SCHEMBL30753725 0.88 MEN1 (0.44) RAB9ASMN1; SMN2GAANPC1SLC1A3
SCHEMBL30753734 0.88 RAB9A (0.41) RAB9ASMN1; SMN2GAANPC1SLC1A3
SCHEMBL30753723 0.87 LTA4H (0.58) LTA4H
SCHEMBL7857988 0.86 FCER2 (0.46) RAB9ANPC1BDKRB2LTA4HMMP2
SCHEMBL30753713 0.82 BDKRB2 (0.46) RAB9ASMN1; SMN2NPC1POLBBDKRB2

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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