SCHEMBL8401425

SCHEMBL8401425

O=Cc1c(C(F)(F)F)ccc(Br)c1Br

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
NOTUM Q6P988 2/20 0.34
ERN1 O75460 3/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
XBP1 P17861 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NFKB1 P19838 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
SCHEMBL2952070 0.82 KIF11 (0.39) KIF11NOTUMERN1CA1CA2
SCHEMBL8401304 0.82 KIF11 (0.42) KIF11ERN1
SCHEMBL8404988 0.81 ALDH1A1 (0.38) KIF11NOTUMCA1CA2CA9
SCHEMBL8401545 0.81 KIF11 (0.34) KIF11NOTUMERN1CA1CA2
SCHEMBL1015538 0.78 KIF11 (0.39) KIF11NOTUMERN1CA1CA2
SCHEMBL671603 0.77 ERN1 (0.35) KIF11NOTUMERN1CA1CA2
SCHEMBL30361071 0.76 CA1 (0.43) ERN1CA1CA2CA5ACA9
SCHEMBL6900813 0.75 ERN1 (0.45) ERN1MEN1KMT2A
SCHEMBL23121413 0.74 KIF11 (0.42) KIF11
SCHEMBL6849157 0.74 KIF11 (0.40) KIF11ERN1MEN1KMT2ANFKB1

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
US-5977414-A 2,3-Dihalogeno-6-trifluoromethylbenzene derivatives and processes for the preparation thereof NIPPON SODA CO., LTD. (JP) 1999-11-02 US disclosed
EP-0881207-A1 2,3-DIHALOGENO-6-TRIFLUOROMETHYLBENZENE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NIPPON SODA CO., LTD. (JP) 1998-12-02 EP disclosed