SCHEMBL16751608

SCHEMBL16751608

c1cnc2c(c1)[nH]c1oc3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.47
GABRA1 P14867 3/20 0.44
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA3 P34903 3/20 0.44
GABRA2 P47869 3/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39

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
SCHEMBL16751757 0.88 GABRA1 (0.48) PARP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL16751652 0.84 GABRA1 (0.39) PARP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL16751762 0.83 PARP1 (0.45) PARP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL16751636 0.79 SMN1; SMN2 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31606608 0.78 ALDH1A1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15024931 0.78 ALDH1A1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16751628 0.78 AURKA (0.45) PARP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL16751645 0.75 KCNMA1 (0.36) PARP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL16751752 0.75 GABRA1 (0.43) PARP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL16751698 0.74 KCNMA1 (0.41) PARP1GABRA1GABRG2GABRB3GABRA5

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-2015076600-A1 NOVEL LIGHT EMISSION COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 동진쎄미켐 2015-05-28 WO disclosed