SCHEMBL7973695

SCHEMBL7973695

CN(C)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
VCAM1 P19320 12/20 0.58
NPSR1 Q6W5P4 1/20 0.54
PTGS2 P35354 2/20 0.53
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
ACHE P22303 1/20 0.49

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
Hydrochloric Acid SCHEMBL30729425 0.98 MAPT (0.59) MAPTVCAM1NPSR1PTGS2ALDH1A1
SCHEMBL7526150 0.85 MAPT (0.66) MAPTVCAM1NPSR1PTGS2MAPK1
SCHEMBL6558646 0.82 MAPT (0.60) MAPTVCAM1ALDH1A1MEN1MAPK1
SCHEMBL7542108 0.82 VCAM1 (0.64) VCAM1ALDH1A1
SCHEMBL31361989 0.82 MAPT (0.72) MAPTNPSR1PTGS2ALDH1A1MAPK1
SCHEMBL11875032 0.82 VCAM1 (0.53) MAPTVCAM1NPSR1ALDH1A1MAPK1
SCHEMBL2038302 0.79 MAPT (0.73) MAPTNPSR1PTGS2ALDH1A1MEN1
SCHEMBL28948635 0.79 VCAM1 (0.46) VCAM1ALDH1A1
SCHEMBL7540268 0.78 VCAM1 (0.58) VCAM1ALDH1A1
SCHEMBL976044 0.78 MAPT (0.61) MAPTNPSR1PTGS2ALDH1A1MEN1

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