SCHEMBL19648596

SCHEMBL19648596

Nc1ccc(NNc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.64
PTGS1 P23219 8/20 0.59
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MAOB P27338 2/20 0.47
EPHX2 P34913 1/20 0.47
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL2131497 0.86 KIF11 (0.64) KIF11PTGS1CA1CA2MAOB
SCHEMBL30438832 0.85 KIF11 (0.84) KIF11PTGS1MAOBTAAR1
SCHEMBL27948267 0.85 KIF11 (0.84) KIF11PTGS1MAOBTAAR1
SCHEMBL10302 0.85 KIF11 (0.84) KIF11PTGS1MAOBTAAR1
Bromide SCHEMBL29203653 0.83 KIF11 (0.80) KIF11PTGS1MAOBTAAR1
Hydrochloric Acid SCHEMBL4376065 0.83 KIF11 (0.80) KIF11PTGS1MAOBTAAR1
Iodide SCHEMBL29168424 0.83 KIF11 (0.80) KIF11PTGS1MAOBTAAR1
SCHEMBL11737429 0.83 KIF11 (0.80) KIF11PTGS1MAOBTAAR1
SCHEMBL7267368 0.83 KIF11 (0.80) KIF11PTGS1MAOBTAAR1
Hydrochloric Acid SCHEMBL2130181 0.83 KIF11 (0.80) KIF11PTGS1MAOBTAAR1

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
EP-2580289-B1 BLACK DICHROIC DYE BASF SE (DE) 2017-11-29 EP disclosed