SCHEMBL28047174

SCHEMBL28047174

Cc1c(N)ccc(C(N)=O)c1C.Cc1cnn(Cc2ccc(Cn3cc(C(=O)O)cn3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 17/20 0.50
▸ HSD17B10 Q99714 1/20 0.44
▸ NR1I2 O75469 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ GRM2 Q14416 1/20 0.41
▸ KLK1 P06870 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL28825220 0.84 KLKB1 (0.56) KLKB1NR1I2KCNH2GRM2KLK1
SCHEMBL28047227 0.84 KLKB1 (0.55) KLKB1NR1I2KCNH2GRM2KLK1
SCHEMBL16246805 0.84 KLKB1 (0.62) KLKB1HSD17B10KLK1L3MBTL1
SCHEMBL28047222 0.83 KLKB1 (0.49) KLKB1HSD17B10NR1I2KCNH2GRM2
SCHEMBL28047272 0.80 KLKB1 (0.65) KLKB1HSD17B10KLK1
SCHEMBL28047231 0.80 KLKB1 (0.58) KLKB1NR1I2KCNH2GRM2KLK1
SCHEMBL19087149 0.77 HSD17B10 (0.70) KLKB1HSD17B10L3MBTL1
SCHEMBL948453 0.77 HSD17B10 (0.61) KLKB1HSD17B10L3MBTL1
SCHEMBL28047220 0.74 KLKB1 (0.63) KLKB1KLK1
SCHEMBL17696410 0.74 KLKB1 (0.55) KLKB1HSD17B10KLK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143201-A Benzylamine derivatives KALVISTA PHARMACEUTICALS LTD 2015-12-09 — — CN claimed
CN-105143201-A Benzylamine derivatives KALVISTA PHARMACEUTICALS LTD 2015-12-09 — — CN disclosed
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