SCHEMBL2051292

SCHEMBL2051292

CCn1c(Cc2c(N)c(Cl)nc(C(=O)O)c2N)nc2ccc(C)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 2/20 0.40
TLR8 Q9NR97 1/20 0.38
MEN1 O00255 2/20 0.37
THRB P10828 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37
KCNH2 Q12809 1/20 0.36
PPARG P37231 5/20 0.36
NLRP3 Q96P20 1/20 0.35
RORC P51449 1/20 0.35
NTRK1 P04629 2/20 0.34
NTRK2 Q16620 2/20 0.34
ALDH1A1 P00352 1/20 0.34
FGB P02675 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 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
SCHEMBL2053736 0.85 PPARG (0.48) ACSS2KDM4EMAPTRAB9APPARG
SCHEMBL2018223 0.73 ADORA2A (0.40) ACSS2TLR8MEN1KMT2AMAPT
SCHEMBL2016331 0.73 HTT (0.52) ACSS2TLR8MEN1KMT2AKDM4E
SCHEMBL2018097 0.70 HTT (0.59) ACSS2MEN1THRBKMT2AKDM4E
SCHEMBL2018088 0.69 TNF (0.53) ACSS2TLR8MEN1KMT2AKDM4E
SCHEMBL7257387 0.67 MAPT (0.60) MEN1THRBKMT2AKDM4EMAPT
SCHEMBL2015344 0.67 HTT (0.47) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL2017836 0.65 HTT (0.46) ACSS2MEN1THRBKMT2AHTT
SCHEMBL12635694 0.65 HTT (0.52) ACSS2MEN1THRBKMT2AKDM4E
SCHEMBL20209144 0.64 ACSS2 (0.57) ACSS2MEN1THRBKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed