SCHEMBL19360419

SCHEMBL19360419

Cc1cc(-c2cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c3cccc(C)c3)c2)cc(-c2ccc(C)c(C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 2/20 0.45
AR P10275 1/20 0.38
PDK2 Q15119 1/20 0.36
RXRA P19793 3/20 0.33
RXRB P28702 3/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
DHODH Q02127 1/20 0.33
HTR7 P34969 1/20 0.33
MAPT P10636 1/20 0.32
PTPN1 P18031 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
KCNH2 Q12809 1/20 0.32
RXRG P48443 1/20 0.32
RAPGEF4 Q8WZA2 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
SCHEMBL19360427 0.84 PTPN5 (0.52) PTPN5ARPDK2RXRARXRB
SCHEMBL30144876 0.79 ACHE (0.46) PTPN5MAPTKCNH2RAPGEF4
SCHEMBL19360441 0.79 ACHE (0.46) PTPN5MAPTKCNH2RAPGEF4
SCHEMBL20022097 0.74 PTPN5 (0.58) PTPN5ARRAPGEF4
SCHEMBL20329231 0.73 PTPN5 (0.43) PTPN5ARPDK2CNR1CNR2
SCHEMBL20022132 0.72 PTPN5 (0.60) PTPN5ARRAPGEF4
SCHEMBL20022104 0.72 PTPN5 (0.60) PTPN5ARRAPGEF4
SCHEMBL26756584 0.72 HDAC1 (0.38) ARMAPT
SCHEMBL26821716 0.71 RXRA (0.47) PTPN5ARRXRARXRBDHODH
SCHEMBL15497368 0.71 RXRA (0.46) PTPN5ARRXRARXRBDHODH

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
US-20170267823-A1 ANION EXCHANGE RESIN, ELECTROLYTE MEMBRANE FOR FUEL CELL, BINDER FOR FORMING ELECTRODE CATALYST LAYER, BATTERY ELECTRODE CATALYST LAYER AND FUEL CELL TAKAHATA PRECISION JAPAN CO., LTD. (JP) 2017-09-21 US disclosed