SCHEMBL7971817

SCHEMBL7971817

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

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
NPSR1 Q6W5P4 1/20 0.63
HCAR3 P49019 6/20 0.56
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
PKM P14618 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
PTGER4 P35408 1/20 0.52
HDAC1 Q13547 1/20 0.52
MEN1 O00255 1/20 0.51
RECQL P46063 1/20 0.51
PRSS1 P07477 3/20 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
SCHEMBL7960520 0.93 SMN1; SMN2 (0.61) ALDH1A1NPSR1HCAR3MAPTSMN1; SMN2
SCHEMBL10502410 0.87 HCAR3 (0.74) ALDH1A1NPSR1HCAR3MAPTKMT2A
SCHEMBL9725429 0.86 PKM (0.65) ALDH1A1NPSR1HCAR3MAPTSMN1; SMN2
SCHEMBL7974178 0.86 ALDH1A1 (0.64) ALDH1A1NPSR1HCAR3MAPTSMN1; SMN2
SCHEMBL9725412 0.85 ALDH1A1 (0.63) ALDH1A1NPSR1HCAR3MAPTSMN1; SMN2
SCHEMBL2552519 0.84 HCAR3 (0.79) ALDH1A1HCAR3MAPTSMN1; SMN2KMT2A
SCHEMBL1726083 0.83 MAPT (0.62) ALDH1A1NPSR1HCAR3MAPTSMN1; SMN2
SCHEMBL28201836 0.83 ALDH1A1 (0.60) ALDH1A1NPSR1HCAR3MAPTSMN1; SMN2
SCHEMBL5591699 0.83 ALDH1A1 (0.60) ALDH1A1NPSR1HCAR3MAPTSMN1; SMN2
SCHEMBL2335070 0.83 HCAR3 (0.63) ALDH1A1NPSR1HCAR3MAPTSMN1; SMN2

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 3 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
CN-1263887-A Benzimidazole derivative and hair maintaining agent, skin external use agent SHISEIDO CO LTD (JP) 2000-08-23 CN 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