SCHEMBL6819087

SCHEMBL6819087

COc1ncccc1-c1nn(C)c(OC(F)F)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39
PDE1C Q14123 2/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
BRD4 O60885 4/20 0.37
BRD2 P25440 4/20 0.37
BRD3 Q15059 4/20 0.37
CREBBP Q92793 4/20 0.37
TRPV4 Q9HBA0 1/20 0.36
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR3C1 P04150 1/20 0.36
BTK Q06187 1/20 0.35
MTOR P42345 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
SCHEMBL6672773 0.87 RAB9A (0.43) PDE1APDE1BPDE1CRAB9ANPC1
SCHEMBL6674661 0.86 NPC1 (0.35) RAB9ANPC1KDM4EMAPTTRPV4
SCHEMBL6918490 0.81 CRHR1 (0.33) MAPTL3MBTL1
SCHEMBL6815383 0.76
SCHEMBL6672063 0.74
SCHEMBL6684334 0.74
SCHEMBL6672816 0.73 SCN9A (0.32)
SCHEMBL6671534 0.73 F2RL3 (0.33)
SCHEMBL8471677 0.73 AMY1A (0.38) KDM4EALDH1A1MAPT
SCHEMBL6683889 0.73 SCN9A (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004035563-A1 3-HETEROCYCLYLPYRIDINE DERIVATIVES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-04-29 WO disclosed