SCHEMBL27824322

SCHEMBL27824322

O=C(n1cc(-c2ccccc2)nn1)n1cc(-c2ccccc2)nn1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DAGLA Q9Y4D2 14/20 0.54
▸ ABHD6 Q9BV23 15/20 0.53
▸ MEN1 O00255 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ CYP19A1 P11511 2/20 0.47
▸ DAGLB Q8NCG7 1/20 0.46

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
SCHEMBL28290881 0.82 DAGLA (0.47) DAGLAABHD6MEN1CASP3KMT2A
SCHEMBL424359 0.82 ALDH1A1 (0.51) DAGLAABHD6DAGLB
SCHEMBL28135749 0.81 DAGLA (0.52) DAGLAABHD6MEN1CASP3KMT2A
SCHEMBL28291213 0.77 ABHD6 (0.49) DAGLAABHD6MEN1CASP3KMT2A
SCHEMBL31300250 0.75 KMT2A (0.45) DAGLAABHD6MEN1CASP3KMT2A
SCHEMBL29050559 0.75 ALOX5 (0.48) DAGLAABHD6MEN1CASP3KMT2A
SCHEMBL13192449 0.75 ABHD6 (0.77) DAGLAABHD6DAGLB
SCHEMBL6728354 0.74 CYP19A1 (0.52) MEN1CASP3KMT2ASENP8SENP7
SCHEMBL11815716 0.73 SRC (0.61) MEN1CASP3KMT2ASENP8SENP7
Water SCHEMBL27717809 0.72 CYP19A1 (0.50) MEN1CASP3KMT2ASENP8SENP7

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-105399731-A Pharmaceutical Compounds BIAL PORTELA & CA SA 2016-03-16 — — CN disclosed
CN-102333568-B Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-01-20 — — CN disclosed
CN-102333568-A Pharmaceutical compounds BIAL PORTELA & CA SA 2012-01-25 — — CN disclosed
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