SCHEMBL8664923

SCHEMBL8664923

Fc1ccc2c(c1)NC(NCCc1ccccn1)=NS2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APP P05067 2/20 0.36
PIM1 P11309 1/20 0.36
MAPK8 P45983 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL16974829 0.88 KMT2A (0.43) NPC1RAB9AKDM4EALDH1A1ALOX15
SCHEMBL16974849 0.87 CYP1A2 (0.44) CYP1A2HTTNPC1RAB9AHRH3
SCHEMBL16974865 0.86 PKM (0.47) CYP1A2NPC1RAB9AHRH3KDM4E
SCHEMBL16974923 0.83 CYP1A2 (0.42) CYP1A2HTTNPC1RAB9AHRH3
SCHEMBL16974835 0.83 CYP1A2 (0.47) CYP1A2HTTNPC1RAB9AHRH3
SCHEMBL16974842 0.80 CCNT1 (0.34) HTTKDM4EALDH1A1SMN1; SMN2CDK9
SCHEMBL16974911 0.79 KMT2A (0.43) NPC1RAB9AKDM4EALDH1A1ALOX15
SCHEMBL16974866 0.79 ALDH1A1 (0.40) NPC1RAB9AHRH3KDM4EALDH1A1
SCHEMBL22630211 0.77 CYP1A2 (0.38) CYP1A2HTTNPC1RAB9AHRH3
SCHEMBL7953143 0.76 CYP1A2 (0.41) CYP1A2HTTNPC1RAB9AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099304-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA Mayo Foundation for Medical Education and Research (US) 2016-12-07 EP disclosed
WO-2015117024-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-08-06 WO disclosed
EP-0906297-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-04-07 EP disclosed
WO-1997049692-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-12-31 WO disclosed