SCHEMBL7970502

SCHEMBL7970502

Nc1ccccc1NCCCn1ccnc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 10/20 0.63
SOD1 P00441 3/20 0.62
ALDH1A1 P00352 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 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 SCHEMBL3872082 0.99 QPCT (0.62) QPCTSOD1ALDH1A1GSK3AGSK3B
SCHEMBL4939445 0.91 QPCT (0.52) QPCTSOD1
SCHEMBL9940703 0.82 QPCT (0.57) QPCTSOD1ALDH1A1L3MBTL1
SCHEMBL29062412 0.82 QPCT (0.69) QPCTSOD1ALDH1A1GSK3AGSK3B
SCHEMBL11495035 0.80 SOD1 (0.67) QPCTSOD1ALDH1A1GSK3AGSK3B
SCHEMBL13790975 0.79 MEN1 (0.64) QPCTSOD1
SCHEMBL2539814 0.79 SOD1 (0.57) QPCTSOD1NPC1RAB9AATM
SCHEMBL7642996 0.79 QPCT (0.56) QPCTSOD1ALDH1A1KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL5191266 0.78 SOD1 (0.56) QPCTSOD1ALDH1A1NPC1RAB9A
SCHEMBL18561446 0.77 SOD1 (0.58) QPCTSOD1ALDH1A1GSK3AGSK3B

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