SCHEMBL14275437

SCHEMBL14275437

Bc1cccc(C(F)(F)c2cccc(Br)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
KIF11 P52732 1/20 0.36
CTSL P07711 1/20 0.35
MAPK1 P28482 3/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MPO P05164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGLL Q99685 2/20 0.32

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
SCHEMBL13623124 0.88 CA1 (0.57) CA1CA2CA5ACA9KIF11
SCHEMBL29824423 0.79 CA1 (0.57) CA1CA2CA5ACA9KIF11
SCHEMBL4661 0.79 CA1 (0.57) CA1CA2CA5ACA9KIF11
SCHEMBL1504913 0.77 CA1 (0.55) CA1CA2CA5ACA9KIF11
SCHEMBL1504972 0.77 CA1 (0.55) CA1CA2CA5ACA9KIF11
SCHEMBL2665244 0.77 TSHR (0.56) CA1CA2MAPK1TSHRALDH1A1
SCHEMBL8201004 0.76
Water SCHEMBL27546767 0.74 TSHR (0.54) CA1CA2MAPK1TSHRALDH1A1
Water SCHEMBL27732527 0.74 ALDH1A1 (0.46) MAPK1TSHRALDH1A1MEN1CYP1A2
SCHEMBL23003739 0.74 CA1 (0.52) CA1CA2CA5ACA9KIF11

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
WO-2008027282-A2 DEVELOPMENT OF NOVEL PROTON-CONDUCTIVE POLYMERS FOR PROTON EXCHANGE MEMBRANE FUEL CELL (PEMFC) TECHNOLOGY THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA-LAS VEGAS (US) 2008-03-06 WO disclosed