SCHEMBL4388002

SCHEMBL4388002

O=[N+]([O-])c1cc(Br)nn1O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.31
POLB P06746 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
SCHEMBL21291535 0.76 CHEK1 (0.39) MAPK1ALDH1A1LMNATHRBTSHR
SCHEMBL21582003 0.72 SMN1; SMN2 (0.38) MAPK1ALDH1A1LMNATHRBTSHR
SCHEMBL28110966 0.61 LMNA (0.35) MAPK1ALDH1A1LMNATHRBTSHR
SCHEMBL220662 0.58 CYP19A1 (0.50) MAPK1ALDH1A1LMNATSHRMAPT
SCHEMBL3635116 0.57 HTT (0.33) ALDH1A1
SCHEMBL28693465 0.57 HTT (0.33) ALDH1A1
SCHEMBL18418866 0.57 CHEK1 (0.40) MAPK1ALDH1A1LMNATHRBTSHR
SCHEMBL17453581 0.55 MAPT (0.41) ALDH1A1LMNAMAPTPOLB
SCHEMBL19327235 0.55 ERN1 (0.57) MAPK1ALDH1A1TSHRMAPT
SCHEMBL2085076 0.54 ALDH1A1 (0.63) MAPK1ALDH1A1LMNATSHRMAPT

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
EP-1363705-A4 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2009-08-12 EP disclosed
EP-1363705-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-26 EP disclosed
WO-2002062423-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 WO disclosed