SCHEMBL17609

SCHEMBL17609

NC(=NO)c1nccc(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.36
SYK P43405 10/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
LOX P28300 1/20 0.34
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
P2RX7 Q99572 1/20 0.32
PDPK1 O15530 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
SCHEMBL17608 1.00 ADRB1 (0.36) ADRB1SYKLOXL2TAS2R14LOX
SCHEMBL17658 0.87
SCHEMBL17657 0.87
SCHEMBL13837225 0.79 SYK (0.45) ADRB1SYKLOXL2TAS2R14KMT2A
SCHEMBL29607 0.79 ADRB1 (0.38) ADRB1SYKLOXL2TAS2R14LOX
SCHEMBL17378 0.76 POLB (0.40) KMT2ANPSR1NPC1GAARAB9A
SCHEMBL17377 0.76 POLB (0.40) KMT2ANPSR1NPC1GAARAB9A
SCHEMBL18342 0.73 KMO (0.65) KMT2ANPC1GAARAB9A
SCHEMBL18343 0.73 KMO (0.65) KMT2ANPC1GAARAB9A
SCHEMBL1578122 0.73 KMO (0.54) SYKTAS2R14

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
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 CN disclosed
WO-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed