SCHEMBL8397393

SCHEMBL8397393

c1ccc2sc(-c3ccc(NNc4ccc(-c5nc6ccccc6s5)cc4)cc3)nc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.76
GLA P06280 2/20 0.76
GAA P10253 2/20 0.76
MEN1 O00255 1/20 0.76
KMT2A Q03164 1/20 0.76
RAB9A P51151 4/20 0.67
KDM4E B2RXH2 3/20 0.67
NPC1 O15118 3/20 0.67
MMP9 P14780 3/20 0.67
MMP8 P22894 3/20 0.67
MAPT P10636 2/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
TP53 P04637 2/20 0.66
MMP2 P08253 2/20 0.62
MMP13 P45452 2/20 0.62
PKM P14618 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PAX8 Q06710 1/20 0.61
NOD2 Q9HC29 1/20 0.61

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
SCHEMBL24155562 0.89 APP (0.76) APPGLAGAAMEN1KMT2A
SCHEMBL366824 0.89 RAB9A (0.81) APPGLAGAAMEN1KMT2A
SCHEMBL29474819 0.89 RAB9A (0.81) APPGLAGAAMEN1KMT2A
SCHEMBL24295138 0.87 RAB9A (0.79) APPGLAGAAMEN1KMT2A
SCHEMBL12472555 0.86 APP (0.71) APPGLAGAAMEN1KMT2A
SCHEMBL29523038 0.86 APP (1.00) APPGLAGAAMEN1KMT2A
SCHEMBL2628266 0.86 APP (1.00) APPGLAGAAMEN1KMT2A
SCHEMBL14195557 0.86 APP (0.71) APPGLAGAAMEN1KMT2A
SCHEMBL493341 0.86 APP (1.00) APPGLAGAAMEN1KMT2A
SCHEMBL22879575 0.85 APP (0.69) APPGLAGAAMEN1KMT2A

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 5 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
EP-0721336-A1 BENZAZOLE COMPOUNDS FOR USE IN THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-07-17 EP disclosed
WO-1995006469-A1 BENZAZOLE COMPOUNDS FOR USE IN THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-03-09 WO disclosed