SCHEMBL29670186

SCHEMBL29670186

COc1ccc(Cn2nnc(C)c2-c2ccc(B(O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ ENPP2 Q13822 1/20 0.46
▸ TOP2A P11388 1/20 0.45
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ AKR1C3 P42330 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MET P08581 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ ERCC5 P28715 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ ALDH1A1 P00352 3/20 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
SCHEMBL26842911 0.84 CYP19A1 (0.49) TOP2ANPC1RAB9AMEN1KMT2A
SCHEMBL30071507 0.84 CYP3A4 (0.49) TOP2ANPC1RAB9AMEN1KMT2A
SCHEMBL31510780 0.77 CYP19A1 (0.55) CA1CA2ENPP2TOP2ANPC1
SCHEMBL17898982 0.75 TOP2A (0.42) TOP2ANPC1RAB9AMEN1KMT2A
SCHEMBL29670353 0.75 GAA (0.51) CA1CA2ENPP2NPC1RAB9A
SCHEMBL31510674 0.75 MEN1 (0.72) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL24470004 0.74 CA1 (0.44) CA1CA2ENPP2CYP1A2CYP3A4
SCHEMBL17898983 0.73 MMP13 (0.46) TOP2AMEN1KMT2AAKR1C3CYP1A2
SCHEMBL17898981 0.71 TOP2A (0.43) TOP2ANPC1RAB9AMEN1KMT2A
SCHEMBL24570328 0.71 RAB9A (0.53) NPC1RAB9AAKR1C3CYP1A2CYP3A4

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
WO-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 — — WO disclosed
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