SCHEMBL6672773

SCHEMBL6672773

COc1ncccc1-c1nn(C)c(OC)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
BRD4 O60885 4/20 0.41
BRD2 P25440 4/20 0.41
BRD3 Q15059 4/20 0.41
CREBBP Q92793 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
BTK Q06187 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
MTOR P42345 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL6819087 0.87 PDE1A (0.39) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL22772903 0.74 PDE1A (0.44) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL20754852 0.72 BTK (0.49) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL6674661 0.71 NPC1 (0.35) RAB9ANPC1KDM4EMAPTPDE2A
SCHEMBL20406251 0.70 BTK (0.53) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL6676477 0.69 UGCG (0.36) MAPT
SCHEMBL22940967 0.68 RAB9A (0.47) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL15674574 0.67 DHODH (0.47) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL2713912 0.67 S100A4 (0.49) RAB9ANPC1PDE1APDE1BPDE1C
SCHEMBL6918490 0.67 CRHR1 (0.33) MAPTL3MBTL1

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-2004035564-A1 PYRIDINE DERIVATIVES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-04-29 WO disclosed
WO-2004035563-A1 3-HETEROCYCLYLPYRIDINE DERIVATIVES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-04-29 WO disclosed