SCHEMBL5813013

SCHEMBL5813013

CCOCn1c(-c2ccc(C(F)(F)F)cc2)c(C#N)c(Br)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NAAA Q02083 1/20 0.31
ADORA1 P30542 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL9389300 0.92
SCHEMBL9567356 0.92 KIF11 (0.33) KIF11CTSSCTSKNPC1RAB9A
SCHEMBL28742523 0.91 MAPK14 (0.37) RXFP1ADORA1ALDH1A1MAPTMAPK14
SCHEMBL9389580 0.90 AR (0.39) ADORA1
Chlorfenapyr SCHEMBL40337 0.90 RXFP1 (0.35) RXFP1ALDH1A1MAPT
Chlorfenapyr SCHEMBL28530561 0.89 RXFP1 (0.35) RXFP1ALDH1A1MAPT
Chlorfenapyr SCHEMBL27488880 0.89 RXFP1 (0.35) RXFP1ALDH1A1MAPT
Chlorfenapyr SCHEMBL28508419 0.88 RXFP1 (0.36) RXFP1ALDH1A1MAPT
Chlorfenapyr SCHEMBL16446552 0.87 MEN1 (0.35) RXFP1ALDH1A1
SCHEMBL5819960 0.86 KIF11 (0.35) KIF11CTSSCTSKNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0895839-B1 Arylpyrroles for the protection of wood, wood products and wood structures from insect attack BASF AG (DE) 2006-09-20 EP claimed
EP-0895717-B1 Arylpyrroles for subterranean termite control BASF AG (DE) 2003-05-28 EP claimed
EP-0895839-A1 Arylpyrroles for the protection of wood, wood products and wood structures from insect attack American Cyanamid Company (US) 1999-02-10 EP claimed
EP-0895717-A1 Arylpyrroles for subterranean termite control American Cyanamid Company (US) 1999-02-10 EP claimed
EP-0895839-B1 Arylpyrroles for the protection of wood, wood products and wood structures from insect attack BASF AG (DE) 2006-09-20 EP disclosed
EP-0895717-B1 Arylpyrroles for subterranean termite control BASF AG (DE) 2003-05-28 EP disclosed
US-6077863-A TREATING WOOD OR WOOD PRODUCT OR SOIL SURROUNDED WITH ARYLPYRROLE INSECTICIDE, SPECIALLY TO KILL THE TERMITES AND CARPENTER ANTS AMERICAN CYANAMID COMPANY (US) 2000-06-20 US disclosed
US-6071951-A APPLYING SUBSTITUTED PYRROLE INSECTICIDES TO INFESTED SOILS OR ENVIRONMENTS AMERICAN CYANAMID COMPANY (US) 2000-06-06 US disclosed