SCHEMBL7651003

SCHEMBL7651003

Cn1nc(-c2cccc([N+](=O)[O-])c2Cl)c(Br)c1OC(F)F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
HSD11B1 P28845 1/20 0.33
S100A4 P26447 2/20 0.31
PTPRC P08575 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL7509156 0.81 RPS6KA3 (0.35) ALDH1A1LMNAHSD11B1
SCHEMBL7510824 0.80 MAPT (0.31) LMNAMAPT
SCHEMBL7510124 0.78 L3MBTL1 (0.40) ALDH1A1LMNAPOLBMAPT
SCHEMBL7887336 0.73 MAPT (0.34) MAPT
SCHEMBL7749240 0.71 ESPL1 (0.30)
SCHEMBL7711809 0.71 L3MBTL1 (0.41) ALDH1A1LMNAPOLBMAPT
SCHEMBL7891112 0.70 F2 (0.31)
SCHEMBL8892234 0.70 MAPT (0.38) ALDH1A1LMNAPOLBMAPT
SCHEMBL7707619 0.70 CFTR (0.39) ALDH1A1LMNAPOLBMAPT
SCHEMBL7505658 0.70 HSD11B1 (0.34) HSD11B1

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
US-6482774-B1 Substituted (4-brompyrazole-3-yl) benzazoles BASF AKTIENGESELLSCHAFT (DE) 2002-11-19 US disclosed
CN-1302298-A Substituted (4-brompyrazole-3-yl) indole BASF AG (DE) 2001-07-04 CN disclosed