SCHEMBL28825220

SCHEMBL28825220

Cc1c(N)ccc(C(N)=O)c1C.Cc1cnn(Cc2ccc(Cn3c(C)cc(C(=O)O)c3C)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.56
▸ KLK1 P06870 6/20 0.56
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NOTUM Q6P988 1/20 0.48
▸ NR1I2 O75469 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ GRM2 Q14416 1/20 0.38

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
SCHEMBL28047164 0.87 KLKB1 (0.54) KLKB1KLK1MEN1KMT2ANOTUM
SCHEMBL16247016 0.87 KLKB1 (0.67) KLKB1KLK1MEN1KMT2ANOTUM
SCHEMBL28047174 0.84 KLKB1 (0.50) KLKB1KLK1NR1I2KCNH2GRM2
SCHEMBL28047179 0.83 KLKB1 (0.68) KLKB1KLK1MEN1KMT2ANOTUM
SCHEMBL28047227 0.79 KLKB1 (0.55) KLKB1KLK1NR1I2KCNH2GRM2
SCHEMBL28047231 0.79 KLKB1 (0.58) KLKB1KLK1NR1I2KCNH2GRM2
SCHEMBL28047163 0.78 KLKB1 (0.65) KLKB1KLK1MEN1KMT2ANOTUM
SCHEMBL28047277 0.77 KLKB1 (0.56) KLKB1KLK1MEN1KMT2ANOTUM
SCHEMBL28825219 0.76 KLKB1 (0.65) KLKB1KLK1MEN1KMT2ANOTUM
SCHEMBL16246718 0.75 KLKB1 (0.66) KLKB1KLK1MEN1KMT2ANOTUM

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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