SCHEMBL7970570

SCHEMBL7970570

Cc1ccc(NCCCN(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.71
SMN1; SMN2 Q16637 1/20 0.69
ALDH1A1 P00352 3/20 0.61
NPSR1 Q6W5P4 1/20 0.61
RAD52 P43351 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 3/20 0.49
HCAR3 P49019 2/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
THRB P10828 1/20 0.48
PRSS1 P07477 1/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL9725410 0.92 ALDH1A1 (0.72) KAT2BSMN1; SMN2ALDH1A1NPSR1RAD52
SCHEMBL17208819 0.86 SMN1; SMN2 (0.69) KAT2BSMN1; SMN2ALDH1A1NPSR1RAD52
SCHEMBL4858189 0.86 KAT2B (0.74) KAT2BALDH1A1TSHRTDP1MAPT
SCHEMBL29580274 0.86 KAT2B (0.74) KAT2BALDH1A1TSHRTDP1MAPT
SCHEMBL7973719 0.85 ALDH1A1 (0.85) KAT2BSMN1; SMN2ALDH1A1NPSR1RAD52
SCHEMBL1958474 0.85 SMN1; SMN2 (0.67) KAT2BSMN1; SMN2ALDH1A1NPSR1RAD52
SCHEMBL17678256 0.85 SMN1; SMN2 (0.67) KAT2BSMN1; SMN2ALDH1A1NPSR1RAD52
SCHEMBL4863416 0.84 KAT2B (0.72) KAT2BSMN1; SMN2ALDH1A1TSHRTDP1
SCHEMBL14906561 0.83 KAT2B (0.74) KAT2BSMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL10113238 0.83 KAT2B (1.00) KAT2BSMN1; SMN2ALDH1A1KMT2AMAPT

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