SCHEMBL7514581

SCHEMBL7514581

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
MAPK14 Q16539 1/20 0.34
BCHE P06276 2/20 0.34
ADORA1 P30542 1/20 0.34
PDE2A O00408 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GRM2 Q14416 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
CNR1 P21554 2/20 0.32

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
SCHEMBL7747366 0.86 SLC34A1 (0.36) ADORA2AADORA2BMAPK14ADORA1POLB
SCHEMBL8626557 0.86 HSD11B1 (0.38) HSD11B1ADORA2AADORA2BMAPK14BCHE
SCHEMBL8031860 0.85 HSD11B1 (0.40) HSD11B1ADORA2AADORA2BMAPK14BCHE
SCHEMBL7505658 0.78 HSD11B1 (0.34) HSD11B1ADORA2AADORA2BMAPK14BCHE
SCHEMBL7513789 0.76 PTGS2 (0.36) HSD11B1ADORA2AADORA2BPDE2AEGLN2
SCHEMBL8441483 0.75 CYP11B1 (0.35) EGLN2
SCHEMBL9532209 0.71 AMY1A (0.39) PDE2APOLB
SCHEMBL8031277 0.70 HSD11B1 (0.47) HSD11B1
SCHEMBL7508249 0.70 KMO (0.39) HSD11B1BCHEPDE2AEGLN2GRM2
SCHEMBL8569766 0.70 HSD11B1 (0.47) HSD11B1MAPK14PDE2AEGLN2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6482774-B1 Substituted (4-brompyrazole-3-yl) benzazoles BASF AKTIENGESELLSCHAFT (DE) 2002-11-19 US disclosed
EP-1076660-B1 SUBSTITUTED (4-BROMPYRAZOLE-3-YL)BENZAZOLES BASF AG (DE) 2002-06-26 EP disclosed
CN-1302298-A Substituted (4-brompyrazole-3-yl) indole BASF AG (DE) 2001-07-04 CN disclosed
EP-1076660-A1 SUBSTITUTED (4-BROMPYRAZOLE-3-YL)BENZAZOLES BASF AKTIENGESELLSCHAFT (DE) 2001-02-21 EP disclosed
WO-1999055702-A1 SUBSTITUTED (4-BROMPYRAZOLE-3-YL)BENZAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-11-04 WO disclosed