SCHEMBL21177327

SCHEMBL21177327

CCOC(=O)c1oc(Cc2cc(F)c3ncc(Cl)cc3c2)nc1C(F)F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
KLKB1 P03952 2/20 0.33
MAOB P27338 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
BRAF P15056 1/20 0.31
EIF2AK3 Q9NZJ5 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TARBP2 Q15633 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL21177781 0.89 KLKB1 (0.36) S1PR1S1PR3KLKB1MAOBALDH1A1
SCHEMBL21177310 0.86 KLKB1 (0.32) KLKB1
SCHEMBL21179387 0.84 KLKB1 (0.46) KLKB1
SCHEMBL19780407 0.81 KLKB1 (0.42) S1PR1S1PR3KLKB1
SCHEMBL21177362 0.79 KLKB1 (0.38) KLKB1ALDH1A1
SCHEMBL21177318 0.79 KLKB1 (0.33) KLKB1
SCHEMBL21177161 0.78 KLKB1 (0.42) KLKB1ALDH1A1
SCHEMBL21190192 0.75 ALOX15 (0.37) S1PR1S1PR3KLKB1ALDH1A1ALOX5
SCHEMBL21190089 0.75 KLKB1 (0.44) S1PR1S1PR3KLKB1ALDH1A1MAPT
SCHEMBL21177142 0.75 KLKB1 (0.36) S1PR1S1PR3KLKB1ALDH1A1MAPT

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
WO-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 WO disclosed
WO-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 WO disclosed