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SCHEMBL19988569

SCHEMBL19988569

c1ccc2c(c1)[nH]c1c3oc4c(-c5ccc6c(ccc7c8c9ccccc9[nH]c8c8oc9cccnc9c8c67)c5)cncc4c3c3cc4c(cc3c21)CCCC4

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 2/20 0.32
▸ MAP3K9 P80192 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32

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
SCHEMBL21155925 0.76 GABRA1 (0.43) MAP3K11MAP3K9GABRA1GABRG2GABRB3
SCHEMBL21155926 0.73 MAP3K11 (0.43) MAP3K11MAP3K9GABRA1GABRG2GABRB3
SCHEMBL19988566 0.64 MAP3K11 (0.53) MAP3K11MAP3K9GABRA1GABRG2GABRB3
SCHEMBL19974124 0.64 MAP3K11 (0.53) MAP3K11MAP3K9GABRA1GABRG2GABRB3
SCHEMBL19988527 0.63 MAP3K11 (0.52) MAP3K11MAP3K9GABRA1GABRG2GABRB3
SCHEMBL18132858 0.63 MAP3K11 (0.44) MAP3K11MAP3K9GABRA1GABRG2GABRB3
SCHEMBL18468303 0.62 MAP3K11 (0.38) MAP3K11MAP3K9
SCHEMBL15127086 0.60 MAP3K11 (0.43) MAP3K11MAP3K9GABRA1GABRG2GABRB3
SCHEMBL18346748 0.60 MAP3K11 (0.43) MAP3K11MAP3K9
SCHEMBL24768761 0.60 GABRA1 (0.49) MAP3K11MAP3K9GABRA1GABRG2GABRB3

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-2018050583-A1 COMPOUNDS WITH CARBAZOLE STRUCTURES MERCK PATENT GMBH (DE) 2018-03-22 — — WO disclosed
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