SCHEMBL4632945

SCHEMBL4632945

[2H]C([2H])([2H])n1c(C)nc2c(N)cc(C(=O)O)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.33
HSD17B10 Q99714 4/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
HTT P42858 2/20 0.32
KDM4E B2RXH2 6/20 0.31
GAA P10253 6/20 0.31
MAPT P10636 3/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
GFER P55789 2/20 0.31
ALDH1A1 P00352 2/20 0.31
THRB P10828 2/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GLA P06280 1/20 0.31
RCE1 Q9Y256 1/20 0.31
NR4A1 P22736 2/20 0.31
PLEC Q15149 1/20 0.31

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
SCHEMBL4633318 0.85 MAP4K1 (0.34) ALDH1A1
SCHEMBL21820432 0.67 ABL1 (0.55)
SCHEMBL31159734 0.66 PPARG (0.36) HTTKDM4EMAPTNPC1
SCHEMBL988442 0.64 TPMT (0.54) TPMTHSD17B10HTTKDM4EGAA
SCHEMBL20916711 0.64 RORC (0.43) HSD17B10KDM4EMAPTALDH1A1NPC1
SCHEMBL10487792 0.62 MAPT (0.54) TPMTHSD17B10KDM4EGAAMAPT
SCHEMBL18247596 0.62 TDP1 (0.53) HSD17B10HTTKDM4EGAAMAPT
SCHEMBL31325823 0.61 SRC (0.36) TPMTALOX15TSHRHIF1AKDM4E
SCHEMBL3252847 0.60 KDM4E (0.48) TPMTHSD17B10ALOX15TSHRHTT
SCHEMBL1509519 0.60 KDM4E (0.48) TPMTHSD17B10ALOX15TSHRHTT

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-1926714-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES Nycomed GmbH (DE) 2008-06-04 EP disclosed
WO-2007023135-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2007-03-01 WO disclosed