SCHEMBL30100826

SCHEMBL30100826

Cc1ccc(NC(=O)c2cc3ccccc3o2)s1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 17/20 0.64
▸ NPC1 O15118 16/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ TP53 P04637 5/20 0.61
▸ PKM P14618 3/20 0.59
▸ NFKB1 P19838 2/20 0.59
▸ NFKB2 Q00653 2/20 0.59
▸ RELA Q04206 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ POLB P06746 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL28921534 1.00 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MAPK1KDM4E
SCHEMBL16688465 0.78 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPK1KDM4E
SCHEMBL17131826 0.76 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPK1KDM4E
SCHEMBL7451695 0.76 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MAPK1MEN1
SCHEMBL12830045 0.75 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPK1KDM4E
SCHEMBL5866982 0.75 NPC1 (1.00) RAB9ANPC1SMN1; SMN2MAPK1KDM4E
SCHEMBL353911 0.75 NPC1 (0.66) RAB9ANPC1SMN1; SMN2MAPK1KDM4E
SCHEMBL16688497 0.74 RAB9A (0.78) RAB9ANPC1SMN1; SMN2MAPK1KDM4E
SCHEMBL7963500 0.74 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPK1KDM4E
SCHEMBL23143761 0.73 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MAPK1KDM4E

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-115536646-A Nematicidal active compound and preparation method and application thereof 华东理工大学 2022-12-30 — — CN disclosed
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