SCHEMBL9432046

SCHEMBL9432046

COC(=O)C(S)c1cc(C=O)cc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.39
▸ KMT2A Q03164 3/20 0.37
▸ TACR3 P29371 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ HPGD P15428 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ EDNRA P25101 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9432049 0.69 HSD17B10 (0.48) KMT2AALDH1A1HPGDKDM4ENPSR1
SCHEMBL29678864 0.68 ALDH1A1 (0.52) ERN1KMT2AALDH1A1HPGDNPSR1
SCHEMBL5963190 0.68 ALDH1A1 (0.52) ERN1KMT2AALDH1A1HPGDNPSR1
SCHEMBL29951294 0.67 CYP1A2 (0.57) ERN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL6362144 0.67 CYP1A2 (0.57) ERN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL16548172 0.67 SLC6A3 (0.47) ERN1KMT2ATACR3ALDH1A1HPGD
SCHEMBL11467663 0.66 KMT2A (0.45) KMT2AALDH1A1HPGDLMNAMAPK1
2-Naphthaldehyde SCHEMBL9383019 0.66 RECQL (0.43) MAPT
SCHEMBL6200530 0.66 NQO2 (0.55) ERN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL28139963 0.66 CYP2A6 (0.39) ERN1KMT2AALDH1A1HPGDKDM4E

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
US-5340833-A Antiarthritic, antiinflammatory, antitumor agents EISAI CO., LTD. (JP) 1994-08-23 — — US disclosed
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 — — EP disclosed
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