SCHEMBL7972064

SCHEMBL7972064

CC(=O)Nc1ccc(NCCCN(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 5/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MAPT P10636 5/20 0.51
TDP1 Q9NUW8 2/20 0.51
SLC2A1 P11166 2/20 0.51
KMT2A Q03164 2/20 0.50
RAD52 P43351 1/20 0.50
HCAR3 P49019 3/20 0.49
ALDH3A1 P30838 1/20 0.47
TSHR P16473 1/20 0.47
KAT2B Q92831 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL13043696 0.93 HTT (0.64) HTTSMN1; SMN2ALDH1A1NPSR1MAPT
SCHEMBL10802959 0.86 HTT (0.68) HTTSMN1; SMN2ALDH1A1NPSR1MAPT
SCHEMBL13043458 0.81 HTT (0.65) HTTSMN1; SMN2ALDH1A1NPSR1MAPT
SCHEMBL2334056 0.81 HTT (0.72) HTTSMN1; SMN2ALDH1A1NPSR1MAPT
SCHEMBL7970378 0.80 TDP1 (0.46) SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL7101559 0.80 HTT (0.70) HTTSMN1; SMN2ALDH1A1NPSR1MAPT
SCHEMBL7970570 0.80 KAT2B (0.71) SMN1; SMN2ALDH1A1NPSR1MAPTTDP1
SCHEMBL17208819 0.80 SMN1; SMN2 (0.69) HTTSMN1; SMN2ALDH1A1NPSR1MAPT
SCHEMBL7973678 0.80 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1NPSR1MAPTTDP1
SCHEMBL12426042 0.79 HTT (0.82) HTTSMN1; SMN2ALDH1A1NPSR1MAPT

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-6204264-B1 Benzimidazole derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO., LTD. (JP) 2001-03-20 US disclosed
EP-0989123-A1 Benzimidazole derivative, hair growth promoter and external composition for skin using the same SHISEIDO COMPANY LIMITED (JP) 2000-03-29 EP disclosed