SCHEMBL8428211

SCHEMBL8428211

Cc1cn(-c2cccc(OC(F)F)c2)c(=NC(=O)C(C(F)(F)F)C(F)(F)F)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
RXRA P19793 4/20 0.33
GRIN1 Q05586 4/20 0.33
GRIN2B Q13224 4/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
GAA P10253 1/20 0.31
FBP1 P09467 1/20 0.31
TSHR P16473 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 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
SCHEMBL8428131 0.93 NPC1 (0.40) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL9083666 0.92 CNR1 (0.40) RXRAGRIN1GRIN2BCNR2CNR1
SCHEMBL8425430 0.89 NPC1 (0.42) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL8425765 0.87 RAB9A (0.40) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL8427940 0.86 CNR2 (0.35) NPC1RAB9AMAPTALDH1A1CNR2
SCHEMBL8427939 0.85 CNR1 (0.38) NPC1RAB9AMAPTRXRAGRIN1
SCHEMBL8425428 0.85 CNR2 (0.43) CNR2CNR1NPSR1GAAHTT
SCHEMBL8424553 0.84 CNR1 (0.39) NPC1RAB9ALMNARXRAGRIN1
SCHEMBL8424571 0.82 CNR1 (0.38) NPC1RAB9ALMNARXRAGRIN1
SCHEMBL8424639 0.79 GABRA2 (0.34) NPC1RAB9AMAPTALDH1A1CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636616-B1 Process for production of fluoroalkanecarboxamide derivatives SUMITOMO CHEMICAL CO (JP) 1999-10-27 EP disclosed
US-5484933-A Process for production of fluoroalkane carboxamide derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-01-16 US disclosed
EP-0636616-A1 Process for production of fluoroalkanecarboxamide derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-01 EP disclosed