SCHEMBL28083061

SCHEMBL28083061

Nc1c(Br)ccc(C(F)(F)F)c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
KIF11 P52732 2/20 0.34
NOTUM Q6P988 2/20 0.33
IDO1 P14902 1/20 0.32
ADRB2 P07550 4/20 0.32
KDM1A O60341 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA5A P35218 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
MAPT P10636 2/20 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
SCHEMBL18980143 0.84 GLA (0.37) GLAPOLBGAATSHRKIF11
SCHEMBL31009692 0.82 GLA (0.35) GLAPOLBGAATSHRKIF11
SCHEMBL28604424 0.82 GLA (0.35) GLAPOLBGAATSHRKIF11
SCHEMBL6703882 0.80 KIF11 (0.41) GLAPOLBGAATSHRKIF11
SCHEMBL437464 0.80 KIF11 (0.37) GLAPOLBGAATSHRKIF11
SCHEMBL23674368 0.78 NOTUM (0.35) GLAPOLBGAATSHRKIF11
SCHEMBL8624138 0.78 IDO1 (0.37) GLAPOLBGAATSHRKIF11
SCHEMBL18935992 0.78 P2RX7 (0.38) GLAPOLBGAATSHRKIF11
SCHEMBL9413368 0.78 NOTUM (0.36) GLAPOLBGAATSHRNOTUM
SCHEMBL15846085 0.75 MAPT (0.46) POLBGAANOTUMIDO1MAPT

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
CN-105745190-A Bromine-containing N-phenyldiacrylimide derivative and method for producing same 玛耐科股份有限公司 2016-07-06 CN disclosed