SCHEMBL7974178

SCHEMBL7974178

CN(C)CCNc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
NPSR1 Q6W5P4 1/20 0.64
HCAR3 P49019 6/20 0.57
MAPT P10636 4/20 0.53
RAB9A P51151 2/20 0.53
PKM P14618 2/20 0.53
NPC1 O15118 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
PRSS1 P07477 4/20 0.51
PTGER4 P35408 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 2/20 0.48

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
SCHEMBL7973678 0.93 SMN1; SMN2 (0.62) ALDH1A1NPSR1HCAR3MAPTRAB9A
SCHEMBL5591699 0.89 ALDH1A1 (0.60) ALDH1A1NPSR1HCAR3MAPTRAB9A
SCHEMBL10502410 0.88 HCAR3 (0.74) ALDH1A1NPSR1HCAR3MAPTKMT2A
SCHEMBL9725429 0.87 PKM (0.65) ALDH1A1NPSR1HCAR3MAPTRAB9A
SCHEMBL7971817 0.86 ALDH1A1 (0.63) ALDH1A1NPSR1HCAR3MAPTRAB9A
SCHEMBL9725412 0.86 ALDH1A1 (0.63) ALDH1A1NPSR1HCAR3MAPTRAB9A
SCHEMBL28201836 0.84 ALDH1A1 (0.60) ALDH1A1NPSR1HCAR3MAPTRAB9A
SCHEMBL22382490 0.83 MAPT (0.78) ALDH1A1NPSR1HCAR3MAPTRAB9A
Methyl Alcohol SCHEMBL28201371 0.83 ALDH1A1 (0.59) ALDH1A1NPSR1HCAR3MAPTRAB9A
SCHEMBL9759799 0.81 ALDH1A1 (0.71) ALDH1A1NPSR1HCAR3MAPTRAB9A

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