SCHEMBL8425430

SCHEMBL8425430

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RXRA P19793 4/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2B Q13224 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KDR P35968 1/20 0.33
GAA P10253 1/20 0.33
FBP1 P09467 1/20 0.33
TSHR P16473 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
HPGD P15428 1/20 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
SCHEMBL8425765 0.91 RAB9A (0.40) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL8428131 0.90 NPC1 (0.40) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL8428211 0.89 NPC1 (0.39) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL8424264 0.86 GABRA2 (0.35) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL8424239 0.83 CNR2 (0.44) NPC1NPSR1
SCHEMBL8427939 0.82 CNR1 (0.38) NPC1RAB9AMAPTRXRAGRIN1
SCHEMBL8424571 0.81 CNR1 (0.38) NPC1RAB9ALMNARXRAGRIN1
SCHEMBL2844850 0.78 NPSR1 (0.40) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL2844847 0.78 NPSR1 (0.40) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL8423316 0.78 USP2 (0.34) NPSR1

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
EP-0636616-B1 Process for production of fluoroalkanecarboxamide derivatives SUMITOMO CHEMICAL CO (JP) 1999-10-27 EP disclosed
EP-0636616-A1 Process for production of fluoroalkanecarboxamide derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-01 EP disclosed