SCHEMBL7601781

SCHEMBL7601781

N=C(NCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1)N[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GLA P06280 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1663791 0.87 MMP2 (0.46) MMP2ALDH1A1MAPTSMN1; SMN2GLA
SCHEMBL10448234 0.87 MMP2 (0.46) MMP2ALDH1A1MAPTSMN1; SMN2GLA
SCHEMBL6771642 0.87 LTA4H (0.44) ALDH1A1MAPTSMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL4083238 0.86 MMP2 (0.45) MMP2ALDH1A1MAPTSMN1; SMN2GLA
Hydrochloric Acid SCHEMBL5498773 0.86 MMP2 (0.45) MMP2ALDH1A1MAPTSMN1; SMN2GLA
Hydrochloric Acid SCHEMBL1821105 0.86 MMP2 (0.45) MMP2ALDH1A1MAPTSMN1; SMN2GLA
SCHEMBL10961448 0.86 PDF (0.50) ALDH1A1MAPTSMN1; SMN2GLALMNA
Acetic Acid SCHEMBL11421148 0.83 ALDH1A1 (0.46) MMP2ALDH1A1MAPTSMN1; SMN2GLA
SCHEMBL16446037 0.80 PDF (0.50) MMP2ALDH1A1MAPTSMN1; SMN2GLA
SCHEMBL30999020 0.79 ALDH1A1 (0.44) MMP2ALDH1A1MAPTSMN1; SMN2GLA

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-20020156129-A1 Method of treating pruritus and a pharmaceutical composition for the method IKEDA MOHANDO CO., LTD. (JP) 2002-10-24 US claimed
US-20020156129-A1 Method of treating pruritus and a pharmaceutical composition for the method IKEDA MOHANDO CO., LTD. (JP) 2002-10-24 US disclosed