SCHEMBL14534367

SCHEMBL14534367

C=C(OCOC(=O)OC(C)(C)C)c1[nH]c2ccccc2c1Nc1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
BUB1 O43683 4/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 3/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 2/20 0.36
F2 P00734 1/20 0.36
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 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
SCHEMBL4340498 0.90 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL4346852 0.82 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL4334691 0.78 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL4338517 0.77 BUB1 (0.41) KDM4EALDH1A1HPGDBUB1MEN1
SCHEMBL4332934 0.77 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL4339459 0.77 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL4351579 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL4340512 0.75 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL4332758 0.73 MEN1 (0.57) KDM4EALDH1A1HPGDBUB1HSD17B10
SCHEMBL4334984 0.73 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10KMT2A

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-1501796-B1 3-(PYRIDINYL-AMINO)-1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMA INC (US) 2007-05-09 EP disclosed