SCHEMBL28856477

SCHEMBL28856477

CCOC(=O)C1CCC1Sc1ccc(-c2ccnc3ccc(C#N)cc23)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.35
▸ CDK8 P49336 5/20 0.34
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ IDO1 P14902 2/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ ATR Q13535 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32
▸ IRAK4 Q9NWZ3 3/20 0.32
▸ AR P10275 1/20 0.32

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
SCHEMBL28856557 0.90 SLC22A12 (0.34) SLC22A12ATMCDK9KDM4EALDH1A1
SCHEMBL28856483 0.87 SMN1; SMN2 (0.34) SLC22A12HCRTR1HCRTR2ATMKDM4E
SCHEMBL28856484 0.87 MAPT (0.40) IDO1ATMCDK9KDM4E
SCHEMBL28856509 0.87 SLC22A12 (0.41) SLC22A12CDK8ABL1IDO1TDO2
SCHEMBL28856533 0.86 SLC22A12 (0.36) SLC22A12CDK9KDM4EALDH1A1HPGD
SCHEMBL28856505 0.85 ALDH1A1 (0.35) ACVR1KDM4EALDH1A1HPGD
SCHEMBL28954999 0.82 SLC22A12 (0.34) SLC22A12KDM4EALDH1A1HPGD
SCHEMBL28856503 0.82 MAPK1 (0.34) SLC22A12CDK9KDM4EALDH1A1HPGD
SCHEMBL28856485 0.81 SLC22A12 (0.35) SLC22A12ATMKDM4EALDH1A1HPGD
SCHEMBL28856508 0.78 SLC22A12 (0.39) SLC22A12ABL1ACVR1KDM4E

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-109608432-B Thiophene derivatives as URAT1 inhibitors 江苏艾立康医药科技有限公司 2022-10-11 — — CN disclosed
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