SCHEMBL27435793

SCHEMBL27435793

Nc1cccc(Cn2cc(C(=O)O)cn2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ HTT P42858 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ KLKB1 P03952 11/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ UCHL5 Q9Y5K5 2/20 0.44
▸ UCHL1 P09936 1/20 0.44
▸ UCHL3 P15374 1/20 0.44

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
SCHEMBL553830 0.85 L3MBTL1 (0.62) L3MBTL1POLBTDP1HTTHSD17B10
SCHEMBL15154988 0.84 L3MBTL1 (0.60) L3MBTL1POLBTDP1HTTHSD17B10
SCHEMBL14692463 0.84 L3MBTL1 (0.71) L3MBTL1POLBTDP1HTTHSD17B10
SCHEMBL951879 0.84 POLB (0.60) L3MBTL1POLBTDP1HTTHSD17B10
SCHEMBL4017203 0.84 L3MBTL1 (0.60) L3MBTL1POLBTDP1HTTHSD17B10
SCHEMBL14712472 0.82 MEN1 (0.68) L3MBTL1POLBTDP1MEN1KMT2A
SCHEMBL243561 0.81 POLB (0.56) L3MBTL1POLBTDP1HTTHSD17B10
SCHEMBL15154992 0.81 KMT2A (0.68) L3MBTL1POLBTDP1MEN1KMT2A
SCHEMBL16247134 0.81 ALKBH1 (0.60) L3MBTL1POLBTDP1HTTHSD17B10
SCHEMBL27364039 0.81 L3MBTL1 (0.70) L3MBTL1POLBTDP1HTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100349896-C Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING BV (NL) 2007-11-21 — — CN disclosed
CN-1285594-C Diazacycloalkanes as oxytocin agonists FERRING BV (NL) 2006-11-22 — — CN disclosed
CN-1751050-A Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING BV (NL) 2006-03-22 — — CN disclosed
CN-1543467-A Diazacycloalkanes as oxytocin agonists — 2004-11-03 — — CN disclosed
CN-1126753-C Anticonvulsant and antiallergic/antiasthmatic pyrazolo [3, 4-d ] pyrimidines DRESDEN ARZNEIMITTEL (DE) 2003-11-05 — — CN disclosed
CN-1275128-A Pyrazolo (3,4-D) pyrimidines with anticonvulsive and antialiergic/antiasthmatic action DRESDEN ARZNEIMITTEL (DE) 2000-11-29 — — CN disclosed
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