SCHEMBL28047164

SCHEMBL28047164

Cc1cc(N)c(C)c(C)c1C(N)=O.Cc1cnn(Cc2ccc(Cn3c(C)cc(C(=O)O)c3C)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 17/20 0.54
▸ KLK1 P06870 7/20 0.54
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NOTUM Q6P988 1/20 0.47

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 0.87 KLKB1 (0.56) KLKB1KLK1MEN1KMT2ANOTUM
SCHEMBL28269562 0.86 KLKB1 (0.43) KLKB1KLK1
SCHEMBL16247016 0.85 KLKB1 (0.67) KLKB1KLK1MEN1KMT2ANOTUM
SCHEMBL28047222 0.85 KLKB1 (0.49) KLKB1KLK1
SCHEMBL28047179 0.81 KLKB1 (0.68) KLKB1KLK1MEN1KMT2ANOTUM
SCHEMBL28047163 0.80 KLKB1 (0.65) KLKB1KLK1MEN1KMT2ANOTUM
SCHEMBL28825217 0.80 KLKB1 (0.54) KLKB1KLK1
SCHEMBL28047228 0.80 KLKB1 (0.59) KLKB1KLK1
SCHEMBL28825219 0.79 KLKB1 (0.65) KLKB1KLK1MEN1KMT2ANOTUM
SCHEMBL28047246 0.78 KLK1 (0.54) 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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