SCHEMBL8536324

SCHEMBL8536324

Nc1ccccc1C#CC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HSP90AA1 P07900 1/20 0.43
NTSR1 P30989 1/20 0.43
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ALOX15 P16050 2/20 0.38

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
SCHEMBL13471396 0.84 ALDH1A1 (0.33) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29383293 0.78 CYP3A4 (0.52) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1258715 0.78 CYP3A4 (0.52) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1922269 0.78 CYP3A4 (0.76) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11401297 0.75 CYP3A4 (0.48) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29789973 0.75 CYP3A4 (0.48) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL30270429 0.75 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL28611790 0.74 CA1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL14269645 0.72 CYP3A4 (0.60) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL28392107 0.72 CYP3A4 (0.60) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1

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-0770603-B1 Alkynylphenylaminosulfonyl ureas as herbicides ISAGRO RICERCA SRL (IT) 1998-09-16 EP disclosed
US-5721192-A HERBICIDES ISAGRO RICERCA S.R.L. (IT) 1998-02-24 US disclosed
EP-0770603-A1 Alkynylphenylaminosulfonyl ureas as herbicides ISAGRO RICERCA S.r.l. (IT) 1997-05-02 EP disclosed