SCHEMBL8397690

SCHEMBL8397690

Nc1ccc(-c2nc3ccccc3s2)cc1-c1cc(-c2nc3ccccc3s2)ccc1N

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.73
RAB9A P51151 9/20 0.66
NPC1 O15118 7/20 0.66
KDM4E B2RXH2 6/20 0.66
MAPT P10636 5/20 0.66
ALDH1A1 P00352 4/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
GAA P10253 3/20 0.66
MMP9 P14780 2/20 0.66
MMP8 P22894 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
NFKB1 P19838 3/20 0.65
NFKB2 Q00653 3/20 0.65
RELA Q04206 3/20 0.65
LMNA P02545 3/20 0.57
GLA P06280 2/20 0.57
TP53 P04637 2/20 0.56

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
SCHEMBL7836371 0.89 APP (0.75) APPRAB9ANPC1KDM4EMAPT
SCHEMBL6284593 0.84 APP (0.69) APPRAB9ANPC1KDM4EMAPT
SCHEMBL29406270 0.84 APP (0.69) APPRAB9ANPC1KDM4EMAPT
SCHEMBL4593608 0.84 APP (0.69) APPRAB9ANPC1KDM4EMAPT
SCHEMBL1726512 0.84 APP (1.00) APPRAB9ANPC1KDM4EMAPT
SCHEMBL1978135 0.84 APP (0.69) APPRAB9ANPC1KDM4EMAPT
SCHEMBL4592891 0.84 APP (0.69) APPRAB9ANPC1KDM4EMAPT
SCHEMBL1326042 0.84 APP (0.69) APPRAB9ANPC1KDM4EMAPT
SCHEMBL12227064 0.84 APP (0.69) APPRAB9ANPC1KDM4EMAPT
SCHEMBL2240330 0.81 APP (0.65) APPRAB9ANPC1KDM4EMAPT

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
EP-0721336-A1 BENZAZOLE COMPOUNDS FOR USE IN THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-07-17 EP claimed
WO-1995006469-A1 BENZAZOLE COMPOUNDS FOR USE IN THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-03-09 WO claimed
US-5874431-A ANTITUMOR AGENTS; BREAST CANCER CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-02-23 US disclosed