SCHEMBL29642733

SCHEMBL29642733

Cc1ccc(-c2[nH]c(-c3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 1.00
KMT2A Q03164 4/20 1.00
ALDH1A1 P00352 3/20 1.00
GLA P06280 3/20 1.00
GAA P10253 3/20 1.00
HPGD P15428 3/20 1.00
MEN1 O00255 3/20 1.00
MAPT P10636 2/20 0.75
CYP1A2 P05177 1/20 0.75
CYP2C19 P33261 1/20 0.75
GFER P55789 1/20 0.75
MAPK14 Q16539 5/20 0.69
CSNK1D P48730 1/20 0.69
CSNK1E P49674 1/20 0.69
MAPK13 O15264 4/20 0.62
MAPK12 P53778 4/20 0.62
MAPK11 Q15759 4/20 0.62
TGFBR1 P36897 2/20 0.62
ALOX5 P09917 1/20 0.62
PTPN1 P18031 1/20 0.62

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
SCHEMBL2593317 0.93 KDM4E (0.91) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL23710761 0.89 KDM4E (0.78) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL29103864 0.89 KDM4E (0.83) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL12561695 0.86 KDM4E (0.80) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL16497610 0.86 MAPK14 (0.81) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL12152257 0.85 KDM4E (0.74) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL12561579 0.84 KDM4E (0.76) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL12311111 0.84 KDM4E (0.75) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL28500397 0.83 KDM4E (0.74) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL29010436 0.82 MAPK13 (0.71) KDM4EKMT2AALDH1A1GLAGAA

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
CN-110449458-B Safe treatment and utilization method of polluted soil 广东省生态环境技术研究所 2022-07-01 CN disclosed