SCHEMBL8700660

SCHEMBL8700660

CCOC(=O)Nc1ccc2nc(C(F)(F)F)n(CC(C)C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 7/20 0.48
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.40
DGAT1 O75907 1/20 0.40
MCHR1 Q99705 1/20 0.40
RORC P51449 1/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL8697702 0.83 ALDH1A1 (0.37) ACSS2ALDH1A1HPGDRAB9ANPC1
SCHEMBL7074513 0.79 ACSS2 (0.53) ACSS2ALDH1A1HPGDRAB9ANPC1
SCHEMBL27787906 0.70 ACSS2 (0.50) ACSS2ALDH1A1RAB9AKDM4E
SCHEMBL13359036 0.69 ACSS2 (0.49) ACSS2ALDH1A1RAB9ANPC1MAPT
SCHEMBL8694187 0.68 AGPAT2 (0.39) ACSS2ALDH1A1RAB9ANPC1MAPT
SCHEMBL23139483 0.68 RORC (0.56) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL8695229 0.68 ALDH1A1 (0.72) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL916307 0.67 MAPT (0.45) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL10238329 0.66 ACSS2 (0.52) ACSS2ALDH1A1RAB9ANPC1MAPT
SCHEMBL28490404 0.66 ALDH1A1 (0.50) ALDH1A1HPGDRAB9ANPC1MAPT

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
WO-1998018768-A1 HERBICIDAL 3-(BICYCLIC NITROGEN-CONTAINING HETEROCYCLE)-SUBSTITUTED-1-METHYL-6-TRIFLUOROMETHYLURACILS FMC CORPORATION (US) 1998-05-07 WO disclosed
US-5661108-A CONTROLLING PLANT GROWTH FMC CORPORATION (US) 1997-08-26 US disclosed