SCHEMBL4970698

SCHEMBL4970698

CC(=O)Nc1cc([N+](=O)[O-])ccc1Br.Nc1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 5/20 0.46
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
GAA P10253 4/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CXCR1 P25024 1/20 0.45
CXCR2 P25025 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP19A1 P11511 1/20 0.44
HTT P42858 2/20 0.43
RORC P51449 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GFER P55789 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL396053 0.92 SMN1; SMN2 (0.57) SMN1; SMN2TDP1GAAKMT2AMEN1
SCHEMBL5485824 0.85 SMN1; SMN2 (0.54) SMN1; SMN2TDP1ALDH1A1GAAKMT2A
SCHEMBL4326710 0.84 SMN1; SMN2 (0.58) SMN1; SMN2TDP1CYP3A4ALDH1A1ALOX15
SCHEMBL6354542 0.83 MAPT (0.56) SMN1; SMN2TDP1CYP3A4ALDH1A1ALOX15
SCHEMBL398996 0.81 TDP1 (0.62) TDP1CYP3A4ALDH1A1ALOX15GAA
SCHEMBL5455180 0.80 GAA (0.64) SMN1; SMN2TDP1ALDH1A1GAAKMT2A
SCHEMBL2230525 0.78 KMT2A (0.52) SMN1; SMN2TDP1ALDH1A1GAAKMT2A
SCHEMBL2230530 0.78 KMT2A (0.52) SMN1; SMN2TDP1ALDH1A1GAAKMT2A
SCHEMBL30661616 0.78 KMT2A (0.47) SMN1; SMN2TDP1ALDH1A1GAAKMT2A
SCHEMBL2144447 0.78 KMT2A (0.47) SMN1; SMN2TDP1ALDH1A1GAAKMT2A

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
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 WO disclosed