SCHEMBL7960520

SCHEMBL7960520

CNC(=O)c1ccc(NCCCN(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
HCAR3 P49019 5/20 0.58
PRSS1 P07477 4/20 0.54
ALDH1A1 P00352 4/20 0.54
SLC2A1 P11166 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 4/20 0.52
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 3/20 0.50
PKM P14618 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
PTGER4 P35408 1/20 0.50
RAD52 P43351 1/20 0.50

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
SCHEMBL7971817 0.93 ALDH1A1 (0.63) SMN1; SMN2HCAR3PRSS1ALDH1A1NPSR1
SCHEMBL7973678 0.87 SMN1; SMN2 (0.62) SMN1; SMN2HCAR3PRSS1ALDH1A1SLC2A1
SCHEMBL7972061 0.83 MAPT (0.75) SMN1; SMN2HCAR3PRSS1ALDH1A1SLC2A1
SCHEMBL2552519 0.81 HCAR3 (0.79) SMN1; SMN2HCAR3PRSS1ALDH1A1MAPT
SCHEMBL10502410 0.80 HCAR3 (0.74) HCAR3ALDH1A1NPSR1MAPTKMT2A
SCHEMBL7970325 0.80 PTGER4 (0.50) SMN1; SMN2PRSS1ALDH1A1MAPTPTGER4
SCHEMBL17208819 0.80 SMN1; SMN2 (0.69) SMN1; SMN2HCAR3ALDH1A1NPSR1MAPT
SCHEMBL7970570 0.80 KAT2B (0.71) SMN1; SMN2HCAR3PRSS1ALDH1A1NPSR1
SCHEMBL6926627 0.79 KMT2A (0.55) SMN1; SMN2ALDH1A1SLC2A1NPSR1MAPT
SCHEMBL9725429 0.79 PKM (0.65) SMN1; SMN2HCAR3PRSS1ALDH1A1NPSR1

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