SCHEMBL16891497

SCHEMBL16891497

C=C(OC)c1cncc(Cc2cc(F)c(CNC(C)=O)cc2F)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 1/20 0.36
▸ KLKB1 P03952 6/20 0.36
▸ KLK1 P06870 6/20 0.36
▸ ROCK2 O75116 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL16881413 0.88 ATM (0.43) BDKRB1KLKB1KLK1
SCHEMBL16881188 0.86 KMT2A (0.41) BDKRB1KLKB1KLK1
SCHEMBL16881392 0.81 BDKRB1 (0.39) BDKRB1KLKB1KLK1
SCHEMBL16891479 0.76 KLKB1 (0.49) KLKB1
SCHEMBL16881190 0.76 ATM (0.42) BDKRB1KLKB1KLK1
SCHEMBL28105192 0.75 KMT2A (0.40) BDKRB1KLKB1KLK1
SCHEMBL16891465 0.74 KLKB1 (0.38) BDKRB1KLKB1KLK1
SCHEMBL16880678 0.73 KLKB1 (0.56) KLKB1KLK1
SCHEMBL16881357 0.73 KMT2A (0.43) KLKB1KLK1
SCHEMBL16891459 0.72 KLKB1 (0.37) BDKRB1KLKB1KLK1

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-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 — — WO disclosed
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