SCHEMBL11229191

SCHEMBL11229191

Oc1[c]ccc(C(F)(F)F)c1O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 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
SCHEMBL7586451 0.83 ESR1 (0.35)
SCHEMBL16793404 0.80
SCHEMBL3338590 0.73 CA2 (0.35) KIF11
SCHEMBL5513387 0.72 KIF11 (0.43) KIF11
SCHEMBL4459183 0.70 CES2 (0.35) KIF11
SCHEMBL27941505 0.68
SCHEMBL396017 0.67 CA2 (0.55) KIF11
SCHEMBL144187 0.65 IDO1 (0.32)
SCHEMBL456308 0.64
SCHEMBL1519797 0.64 AR (0.32) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970203-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL) METHANONE COMPOUNDS AS CANCER CELL GROWTH INHIBITORS Rexahn Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
WO-2014143960-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL) METHANONE COMPOUNDS AS CANCER CELL GROWTH INHIBITORS REXAHN PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
US-4338436-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4338439-A BACTERICIDAL ANTIBIOTICS ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4319028-A 7-(2-(Substituted benzoyl)amino)acetamido)cephalosporins ELI LILLY AND COMPANY (US) 1982-03-09 US disclosed