SCHEMBL30336972

SCHEMBL30336972

NCc1ccc(Cn2c(=O)[nH]c3ccc(Cl)cc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.62
LMNA P02545 2/20 0.61
HTT P42858 1/20 0.61
DAO P14920 1/20 0.51
CBX7 O95931 1/20 0.47
CDYL2 Q8N8U2 1/20 0.47
CDYL Q9Y232 1/20 0.47
CDY1; CDY1B Q9Y6F8 1/20 0.47
BRD4 O60885 2/20 0.44
IDO1 P14902 1/20 0.43
MAOB P27338 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
PNMT P11086 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
ADORA3 P0DMS8 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
SCHEMBL23997457 1.00 PGR (0.62) PGRLMNAHTTDAOCBX7
SCHEMBL23997393 0.84 KMT2A (0.54) PGRLMNAHTTDAOBRD4
SCHEMBL30345080 0.84 KMT2A (0.54) PGRLMNAHTTDAOBRD4
SCHEMBL23997338 0.84 PGR (0.51) PGRLMNAHTTDAOBRD4
SCHEMBL30336900 0.84 PGR (0.51) PGRLMNAHTTDAOBRD4
SCHEMBL22465733 0.82 LMNA (0.57) PGRLMNAHTTDAOCBX7
SCHEMBL25720013 0.81 PGR (0.48) PGRLMNAHTTBRD4OPRM1
SCHEMBL23997482 0.81 LMNA (0.75) PGRLMNAHTTDAOIDO1
SCHEMBL30345072 0.81 LMNA (0.75) PGRLMNAHTTDAOIDO1
SCHEMBL20715684 0.80 LMNA (0.65) PGRLMNAHTTDAOBRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115836054-B IL4I1 inhibitors and methods of use 默沙东有限责任公司 2024-12-10 CN disclosed
CN-115836054-A IL4I1 inhibitors and methods of use 默沙东有限责任公司 2023-03-21 CN disclosed
EP-4146644-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2023-03-15 EP disclosed