SCHEMBL7972061

SCHEMBL7972061

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

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.75
ALDH1A1 P00352 4/20 0.75
RAB9A P51151 2/20 0.75
NPC1 O15118 1/20 0.75
PKM P14618 1/20 0.75
CRHBP P24387 1/20 0.75
CRHR2 Q13324 1/20 0.75
PTGER4 P35408 1/20 0.71
LMNA P02545 1/20 0.67
KMT2A Q03164 1/20 0.63
KDM4E B2RXH2 2/20 0.60
POLB P06746 2/20 0.60
HCAR3 P49019 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
SLC2A1 P11166 2/20 0.54
PRSS1 P07477 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL22382490 0.93 MAPT (0.78) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL9043097 0.87 MAPT (0.84) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL15412949 0.87 MAPT (0.65) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL15321333 0.86 MAPT (0.82) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL15774665 0.85 MAPT (0.87) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL15412105 0.85 HCAR3 (0.64) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL7973678 0.84 SMN1; SMN2 (0.62) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL22382354 0.83 MAPT (0.81) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL7960520 0.83 SMN1; SMN2 (0.61) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL1964842 0.83 MAPT (1.00) MAPTALDH1A1RAB9ANPC1PKM

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