SCHEMBL6879873

SCHEMBL6879873

CC(C)NC(=N)c1ccc2[nH]c(C=Cc3nc4cc(C(=N)NC(C)C)ccc4[nH]3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
KDM4E B2RXH2 6/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
MCL1 Q07820 1/20 0.42
ATM Q13315 1/20 0.42
NPC1 O15118 8/20 0.36
RAB9A P51151 8/20 0.36
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
HPGD P15428 4/20 0.36
PKM P14618 3/20 0.36
HSP90AA1 P07900 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 4/20 0.34
HTT P42858 3/20 0.34
GAA P10253 3/20 0.34
GLA P06280 2/20 0.34

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
SCHEMBL6879854 1.00 MAPT (0.42) MAPTKDM4EMEN1KMT2ACACNA1B
SCHEMBL6880977 0.81 F10 (0.48) ALDH1A1
SCHEMBL6869683 0.81 ALDH1A1 (0.41) KMT2ANPC1RAB9AALDH1A1HTT
SCHEMBL9100846 0.80 DDAH1 (0.44) ALDH1A1HTTGAA
Hydrochloric Acid SCHEMBL11298541 0.80 HDAC6 (0.44) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL549168 0.78 HDAC6 (0.39) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL5329388 0.77 F10 (0.49) MAPTKDM4EMEN1KMT2ACACNA1B
SCHEMBL548437 0.77 F10 (0.49) MAPTKDM4EMEN1KMT2ACACNA1B
SCHEMBL8677635 0.74 ALDH1A1 (0.47) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL6363206 0.73 MEN1 (0.44) MAPTKDM4EMEN1KMT2ARAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815461-B1 ADMINISTERING BIS-BENZIMIDAZOLE COMPOUND; TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) INFECTION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2004-11-09 US claimed
EP-0739202-B1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE UNIV NORTH CAROLINA (US) 1998-12-16 EP claimed
EP-0739202-A1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-10-30 EP claimed
WO-1995019772-A1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1995-07-27 WO claimed
US-6815461-B1 ADMINISTERING BIS-BENZIMIDAZOLE COMPOUND; TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) INFECTION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2004-11-09 US disclosed
EP-0739202-B1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE UNIV NORTH CAROLINA (US) 1998-12-16 EP disclosed
EP-0739202-A1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-10-30 EP disclosed
WO-1995019772-A1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1995-07-27 WO disclosed