SCHEMBL8030601

SCHEMBL8030601

Cc1cnc(Oc2ccc(C(F)(F)F)cc2)nc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.45
PPP1CA P62136 1/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
F10 P00742 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
P2RY1 P47900 3/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
RECQL P46063 1/20 0.43
ADORA2A P29274 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL6182752 0.83 NPSR1 (0.55) ALDH1A1KDM4ENPSR1MAPTKMT2A
SCHEMBL11082090 0.77 ALDH1A1 (0.50) ALDH1A1KDM4ENPSR1MAPTKMT2A
SCHEMBL7007726 0.77 CYP1A2 (0.51) ALDH1A1KDM4ENPSR1MAPTKMT2A
SCHEMBL7005800 0.76 NPSR1 (0.53) ALDH1A1KDM4ENPSR1MAPTKMT2A
SCHEMBL5551399 0.75 ALDH1A1 (0.47) ALDH1A1KDM4ENPSR1MAPTKMT2A
SCHEMBL7881244 0.75 ALDH1A1 (0.44) ALDH1A1KDM4ENPSR1MAPTKMT2A
SCHEMBL22719499 0.75 P2RY1 (0.57) ALDH1A1KDM4ENPSR1KMT2APPP1CA
SCHEMBL7008693 0.74 CYP1A2 (0.51) ALDH1A1KDM4ENPSR1MAPTKMT2A
SCHEMBL8707006 0.73 NPSR1 (0.49) ALDH1A1KDM4ENPSR1MAPTKMT2A
SCHEMBL7876395 0.73 ALDH1A1 (0.44) ALDH1A1KDM4ENPSR1MAPTKMT2A

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
US-6066597-A Herbicidal 2-(hetero)aryloxy-6-arylpyridines and 2-aryl-4-(hetero)aryloxy-6-arylpyridines and 2-aryl-4-(hetero)aryloxypyrimidines AMERICAN CYANAMID COMPANY (US) 2000-05-23 US disclosed
US-6008161-A Herbicidal 2-(hetero)aryloxy-6-arylpyridines and 2-aryl-4-(hetero) aryloxypyrimidines AMERICAN CYANAMID COMPANY (US) 1999-12-28 US disclosed
US-5824624-A HERBICIDES WITH CARRIERS OR SURFACTANTS AMERICAN CYANAMID COMPANY (US) 1998-10-20 US disclosed