SCHEMBL28044693

SCHEMBL28044693

O=C(O)c1nc(C(=O)O)c2[nH]c(C(=O)O)nc2n1.[AlH3]

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PTPRB P23467 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 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
SCHEMBL2874564 0.98 KDM4E (0.41) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
Hydrochloric Acid SCHEMBL28824804 0.96 KDM4E (0.40) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
Ammonia Solution, Strong SCHEMBL1080925 0.96 KDM4E (0.40) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
Ammonia Solution, Strong SCHEMBL1080924 0.96 KDM4E (0.40) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
Sulfuric Acid SCHEMBL27780947 0.92 KDM4E (0.37) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
Thiophene SCHEMBL27908543 0.86 KDM4E (0.33) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
SCHEMBL25427079 0.82 KDM4E (0.38) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
SCHEMBL28748422 0.82 KDM4E (0.35) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
SCHEMBL28054405 0.79 KDM4E (0.36) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
SCHEMBL27967035 0.79 KDM4E (0.36) KDM4ECYP3A4CYP2C9PTPRBHSD17B10

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
CN-105502748-A Integrated sewage treatment method ZHEJIANG AIKT ENV TECH CO LTD 2016-04-20 CN claimed
CN-105502748-A Integrated sewage treatment method ZHEJIANG AIKT ENV TECH CO LTD 2016-04-20 CN disclosed