SCHEMBL2053736

SCHEMBL2053736

CCn1c(Cc2c(N)c(Cl)nc(C(=O)O)c2N)nc2ccc(-c3ccc(OC)cc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.48
DYRK1A Q13627 1/20 0.39
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
NLRP3 Q96P20 1/20 0.38
ACSS2 Q9NR19 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.36
VDR P11473 1/20 0.36
NR1H4 Q96RI1 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
SCHEMBL2051292 0.85 ACSS2 (0.40) PPARGMAPTRAB9ANLRP3ACSS2
SCHEMBL2016915 0.77 MAPT (0.46) PPARGNPC1MAPTCYP1A2CYP3A4
SCHEMBL2017964 0.76 SCNN1A (0.44) PPARGNPC1MAPTCYP1A2CYP3A4
SCHEMBL2015354 0.74 PPARG (0.52) PPARGNPC1MAPTCYP1A2CYP3A4
SCHEMBL2018222 0.74 MAPT (0.51) PPARGNPC1MAPTCYP1A2CYP3A4
SCHEMBL2017353 0.71 MAPT (0.52) PPARGNPC1MAPTCYP1A2CYP3A4
SCHEMBL12635707 0.71 PPARG (0.45) PPARGDYRK1ANPC1MAPTCYP1A2
SCHEMBL12635938 0.70 MAPT (0.46) NPC1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL2014103 0.70 SCNN1A (0.43) PPARGNPC1MAPTNLRP3ALDH1A1
SCHEMBL2018438 0.69 SCNN1A (0.44) MAPTACSS2

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