SCHEMBL29918088

SCHEMBL29918088

O=C(O)c1cnccc1-c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.48
KDM4E B2RXH2 6/20 0.47
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
GPR35 Q9HC97 2/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 2/20 0.42
KDM6B O15054 1/20 0.42
KDM4A O75164 1/20 0.42
THRB P10828 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL17237437 0.86 SIRT3 (0.51) KDM4CKDM4ECYP2E1CYP3A4CYP2A6
SCHEMBL30863845 0.78 KDM4C (0.57) KDM4CKDM4EMEN1KMT2AALDH1A1
SCHEMBL932848 0.78 ALOX15 (0.53) KDM4ECYP3A4CYP2C9GPR35MEN1
SCHEMBL3914464 0.76 KDM4E (0.48) KDM4CKDM4ECYP2E1CYP3A4CYP2A6
SCHEMBL1823757 0.75 GPR35 (0.52) KDM4EGPR35MEN1KMT2AALDH1A1
SCHEMBL30292657 0.75 ALDH1A1 (0.50) KDM4CKDM4EMEN1KMT2AALDH1A1
SCHEMBL6906435 0.75 ALDH1A1 (0.50) KDM4CKDM4EMEN1KMT2AALDH1A1
SCHEMBL30292662 0.75 ALDH1A1 (0.50) KDM4CKDM4EMEN1KMT2AALDH1A1
SCHEMBL27564904 0.74 KDM4C (0.46) KDM4CKDM4ECYP2A6MEN1KMT2A
SCHEMBL12279980 0.74 GPR35 (0.51) KDM4EGPR35MEN1KMT2AALDH1A1

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-115058743-B Novel composite electrolyte and method for refining secondary aluminum by low-temperature electrolysis 昆明理工大学 2024-05-24 CN disclosed
CN-115058743-A Novel composite electrolyte and method for low-temperature electrolytic refining of secondary aluminum by using same 昆明理工大学 2022-09-16 CN disclosed