SCHEMBL9503748

SCHEMBL9503748

CCSc1ccc(C(=O)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
LMNA P02545 2/20 0.56
APEX1 P27695 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
PDK1 Q15118 2/20 0.52
ALDH1A1 P00352 5/20 0.46
PDE7A Q13946 1/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 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
SCHEMBL2005152 0.84 APEX1 (0.55) MAPTLMNAAPEX1SMN1; SMN2PDK1
SCHEMBL9731903 0.83 MAPT (0.50) MAPTLMNAAPEX1PDK1ALDH1A1
SCHEMBL23768982 0.83 HPGD (0.63) MAPTLMNAAPEX1SMN1; SMN2ALDH1A1
SCHEMBL6515444 0.83 APEX1 (0.51) MAPTLMNAAPEX1PDK1ALDH1A1
SCHEMBL9503759 0.78 PDK1 (0.70) MAPTLMNASMN1; SMN2PDK1ALDH1A1
SCHEMBL8780956 0.78 MAPT (0.48) MAPTLMNAAPEX1SMN1; SMN2PDK1
SCHEMBL8973769 0.76 TXNRD1 (0.66) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL18779397 0.76 ALDH1A1 (0.73) MAPTLMNASMN1; SMN2ALDH1A1PDE7A
SCHEMBL2001946 0.76 APEX1 (0.43) MAPTLMNAAPEX1SMN1; SMN2PDK1
SCHEMBL11749054 0.76 PDK1 (0.58) MAPTPDK1ALDH1A1

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-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003412-A2 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed