SCHEMBL8159124

SCHEMBL8159124

O=c1c(Cc2cccnc2)cn2c3ccc(Cl)cc3c3cc(O)cc1c32

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.41
GABRA1 P14867 2/20 0.41
EGFR P00533 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SNCA P37840 1/20 0.37
SRC P12931 1/20 0.37
PKM P14618 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KMT2A Q03164 1/20 0.36
PLA2G7 Q13093 1/20 0.36
ADRA1D P25100 1/20 0.35
MAT2A P31153 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TBXAS1 P24557 1/20 0.35
PTAFR P25105 1/20 0.35
AOC2 O75106 1/20 0.34
ABCB1 P08183 1/20 0.34

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
SCHEMBL6982751 0.94 GABRA5 (0.38) GABRA5GABRA1EGFRALDH1A1SRC
SCHEMBL7670695 0.89 GABRA5 (0.43) GABRA5GABRA1EGFRALDH1A1SNCA
SCHEMBL6974694 0.88 PTGDR2 (0.45) SRCPKMGRIN1GRIN2BTBXAS1
SCHEMBL6979201 0.88 GABRA1 (0.41) GABRA5GABRA1ALDH1A1SRCPKM
SCHEMBL8153648 0.88 VKORC1 (0.40) GABRA5GABRA1ALDH1A1SRC
SCHEMBL6981471 0.87 GABRA5 (0.43) GABRA5GABRA1EGFRALDH1A1PKM
SCHEMBL6975094 0.86 GABRA5 (0.38) GABRA5GABRA1EGFRSRCPKM
SCHEMBL6975201 0.85 GABRA1 (0.43) GABRA5GABRA1ALDH1A1TBXAS1PTAFR
SCHEMBL6971385 0.83 CYP19A1 (0.43) GABRA5GABRA1ALDH1A1
SCHEMBL6977489 0.82 GABRA1 (0.41) GABRA5GABRA1ALDH1A1SRCPKM

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
EP-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed