SCHEMBL8994212

SCHEMBL8994212

COc1ccc2nc(-c3ccc([N+](=O)[O-])cc3Cl)sc2c1.COc1cccc2nc(-c3ccc([N+](=O)[O-])cc3Cl)sc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.48
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SCD O00767 1/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
AMY1A P0DUB6 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43

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
SCHEMBL4728430 0.90 AMY1A (0.48) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5086604 0.90 APP (0.56) APPMAPTSCDHTTAMY1A
SCHEMBL1984224 0.83 APP (0.57) APPMAPTLMNAMEN1KMT2A
SCHEMBL4727735 0.79 ALDH1A1 (0.49) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL4784061 0.77 MMP13 (0.63) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL1982367 0.75 APP (0.53) APPMAPTSCDHTTAMY1A
SCHEMBL3200650 0.75 SCD (0.53) APPMAPTLMNAMEN1KMT2A
SCHEMBL1984479 0.74 MAPT (0.62) APPMAPTLMNAMEN1KMT2A
SCHEMBL225021 0.74 APP (0.54) APPMAPTMEN1KMT2ASCD
SCHEMBL1982639 0.74 APP (0.66) APPMAPTSCD

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
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