SCHEMBL2471847

SCHEMBL2471847

Cc1cc(O)cc2nc(C(=O)[O-])ccc12.Cc1cc(O)cc2nc(C(=O)[O-])ccc12.Cc1cc(O)cc2nc(C(=O)[O-])ccc12.[Al+3]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ERAP1 Q9NZ08 1/20 0.40
CASP1 P29466 4/20 0.39
CASP7 P55210 4/20 0.39
HSD17B10 Q99714 4/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 3/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
GRM2 Q14416 6/20 0.38
HIPK2 Q9H2X6 1/20 0.36
POLB P06746 1/20 0.36
GLA P06280 2/20 0.35
TP53 P04637 1/20 0.35
RAD52 P43351 1/20 0.34
AHR P35869 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
Lithium Ion SCHEMBL5151682 0.83 GRM2 (0.44) KDM4EMAPTALDH1A1RAB9ATDP1
SCHEMBL3207562 0.74 ALDH1A1 (0.46) KDM4EMAPTALDH1A1RAB9ATDP1
SCHEMBL6135578 0.70 HSD17B14 (0.52) ALDH1A1RAB9ATDP1CASP1CASP7
SCHEMBL1816442 0.70 KMT2A (0.57) KDM4EMAPTRAB9ATDP1
SCHEMBL13802956 0.67 KDM4E (0.54) KDM4EMAPTALDH1A1ERAP1CASP1
SCHEMBL4376783 0.67 POLB (0.61) KDM4EMAPTALDH1A1ERAP1CASP1
SCHEMBL1133213 0.67 HSD17B14 (0.52) MAPTALDH1A1RAB9ATDP1HSD17B10
Zinc Ion SCHEMBL6385036 0.67 HSD17B14 (0.52) ALDH1A1RAB9ATDP1CASP1CASP7
SCHEMBL8320267 0.67 HSD17B14 (0.52) ALDH1A1RAB9AHPGDTP53
SCHEMBL6386288 0.67 HSD17B14 (0.52) ALDH1A1RAB9ATDP1CASP1CASP7

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
EP-1495657-B1 DISPLAY DEVICES WITH ORGANIC-METAL MIXED LAYER LG DISPLAY CO LTD (KR) 2011-10-05 EP disclosed