SCHEMBL11219337

SCHEMBL11219337

Oc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.64
EPHX2 P34913 1/20 0.52
MTOR P42345 1/20 0.51
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
BAZ1A Q9NRL2 1/20 0.46
NQO2 P16083 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
AURKA O14965 1/20 0.45
CA1 P00915 2/20 0.44
CA12 O43570 1/20 0.44
MMP2 P08253 1/20 0.44
TGM2 P21980 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
PTK2 Q05397 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL1921455 0.88 EPHX2 (0.56) KIF11EPHX2CA1RAB9ACA2
SCHEMBL394422 0.88 EPHX2 (0.56) KIF11EPHX2CA1RAB9ACA2
SCHEMBL57109 0.85 KIF11 (0.84) KIF11MTORESR1ESR2NQO2
Potassium SCHEMBL30655561 0.83 KIF11 (0.80) KIF11MTORESR1ESR2NQO2
SCHEMBL27509291 0.83 KIF11 (0.80) KIF11MTORESR1ESR2NQO2
SCHEMBL28039722 0.83 KIF11 (0.80) KIF11MTORESR1ESR2NQO2
Hydrochloric Acid SCHEMBL29242575 0.83 KIF11 (0.80) KIF11MTORESR1ESR2NQO2
SCHEMBL11756670 0.83 KIF11 (0.80) KIF11MTORESR1ESR2NQO2
Hydrochloric Acid SCHEMBL18955872 0.83 KIF11 (0.80) KIF11MTORESR1ESR2NQO2
SCHEMBL1921452 0.81 KIF11 (0.68) KIF11EPHX2CA1CA2

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
JP-57195155-A None JP disclosed
JP-S57195155-A FLUORAN COMPOUND AND THERMOGRAPHIC RECORDING PAPER USING SAID COMPOUND HODOGAYA CHEM CO LTD 1982-11-30 JP disclosed