SCHEMBL11401560

SCHEMBL11401560

COc1cc(C(=O)Nc2ccccn2)cc(OC)c1OC

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.82
▸ MEN1 O00255 6/20 0.66
▸ KMT2A Q03164 6/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ NPC1 O15118 3/20 0.64
▸ RAB9A P51151 3/20 0.64
▸ F2 P00734 1/20 0.64
▸ TP53 P04637 1/20 0.64
▸ GAA P10253 1/20 0.64
▸ ABCB1 P08183 2/20 0.63
▸ ABCC1 P33527 2/20 0.63
▸ HPGD P15428 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.59

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
SCHEMBL13175593 0.83 F2 (0.64) L3MBTL1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL21903692 0.82 F2 (0.62) L3MBTL1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5238419 0.80 RXFP1 (0.66) L3MBTL1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13202288 0.80 F2 (0.64) L3MBTL1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1457820 0.78 MEN1 (0.70) L3MBTL1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL12502132 0.78 F2 (1.00) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL14637696 0.78 RAB9A (1.00) L3MBTL1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29764989 0.78 RAB9A (1.00) L3MBTL1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13219860 0.78 F2 (0.61) L3MBTL1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL707585 0.78 MEN1 (0.89) MEN1KMT2ASMN1; SMN2TP53GAA

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
JP-55162773-A — — None — — JP disclosed
CN-1231666-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID CO (US) 1999-10-13 — — CN disclosed
JP-S55162773-A PREPARATION OF 3,4,5-TRIMETHOXYBENZAMIDOPYRIDINE KYORIN PHARMACEUT CO LTD 1980-12-18 — — JP disclosed
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