SCHEMBL6731295

SCHEMBL6731295

Cc1c(F)c(Oc2c(Cl)c(C(F)(F)F)nn2C)nc(-c2ccccc2C(F)(F)F)c1F

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.41
HSD11B1 P28845 14/20 0.37
P2RX7 Q99572 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL6967510 0.82 KCNH2 (0.36)
SCHEMBL6722789 0.72 TDP2 (0.37)
SCHEMBL16200074 0.65 POLB (0.40) HSD11B1
SCHEMBL14139212 0.65 POLB (0.40) HSD11B1
SCHEMBL9829989 0.63 HSD11B1 (0.53) HSD11B1TRPA1
SCHEMBL17290658 0.62 HSD11B1 (0.51) CRHR1HSD11B1TRPA1
SCHEMBL9830823 0.62 HSD11B1 (0.62) HSD11B1TRPA1
SCHEMBL9829141 0.62 HSD11B1 (0.51) HSD11B1TRPA1
SCHEMBL9705543 0.62 HSD11B1 (0.62) HSD11B1TRPA1
SCHEMBL9830651 0.62 HSD11B1 (0.54) HSD11B1P2RX7

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
US-6673745-B2 Herbicidal 3,5-difluoropyridines BASF AKTIENGESELLSCHAFT (DE) 2004-01-06 US disclosed