SCHEMBL8697702

SCHEMBL8697702

CCOC(=O)Nc1cc2c(cc1F)nc(C(F)(F)F)n2CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
AAK1 Q2M2I8 1/20 0.37
APEX1 P27695 1/20 0.37
KCNQ3 O43525 2/20 0.37
KCNQ2 O43526 2/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
TP53 P04637 2/20 0.36
ACSS2 Q9NR19 3/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL8694187 0.84 AGPAT2 (0.39) ALDH1A1APEX1KCNQ3KCNQ2KCNQ4
SCHEMBL8700660 0.83 ACSS2 (0.48) ALDH1A1LMNATSHRTP53ACSS2
SCHEMBL8695016 0.79 KMT2A (0.44) ALDH1A1APEX1LMNATP53MAPT
SCHEMBL8694113 0.67 ALDH1A1 (0.44) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3827727 0.65 ALDH1A1 (0.60) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL22279593 0.65 MAOB (0.48) ALDH1A1LMNATSHRMAPTSMN1; SMN2
SCHEMBL8694115 0.65 ALDH1A1 (0.44) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL8696839 0.65 TSHR (0.39) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL8695332 0.64 KCNQ2 (0.51) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL7220721 0.64 ALDH1A1 (0.54) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5

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