SCHEMBL7747366

SCHEMBL7747366

CSc1c(Br)c(-c2ccc(F)cc2F)nn1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 4/20 0.36
GRM5 P41594 1/20 0.36
ADORA2A P29274 3/20 0.36
MAPK14 Q16539 3/20 0.35
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
ADORA1 P30542 2/20 0.33
POLB P06746 1/20 0.33
ADORA2B P29275 1/20 0.33
KCNH2 Q12809 1/20 0.33
DPP4 P27487 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
SCHEMBL7514581 0.86 HSD11B1 (0.36) ADORA2AMAPK14ADORA1POLBADORA2B
SCHEMBL8441483 0.77 CYP11B1 (0.35)
SCHEMBL7746895 0.75 PTGS2 (0.39) SLC34A1GRM5MAPK14
SCHEMBL3488435 0.72 PGR (0.45) SLC34A1GRM5ADORA2APIK3R1PIK3CA
SCHEMBL8626557 0.71 HSD11B1 (0.38) SLC34A1ADORA2AMAPK14ADORA1POLB
SCHEMBL8031860 0.70 HSD11B1 (0.40) SLC34A1GRM5ADORA2AMAPK14ADORA1
SCHEMBL15332993 0.70 MAPK14 (0.38) SLC34A1GRM5MAPK14PIK3R1PIK3CA
SCHEMBL31665009 0.70 HTR2A (0.41) SLC34A1ADORA2AMAPK14PIK3R1PIK3CA
SCHEMBL13184428 0.69 SLC34A1 (0.53) SLC34A1GRM5ADORA2APOLBADORA2B
SCHEMBL20074778 0.69 SLC34A1 (0.41) SLC34A1GRM5ADORA2AMAPK14PGR

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-2001019820-A1 SUBSTITUTED PYRAZOL-3-YLBENZOXAZINONES BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed