SCHEMBL31556648

SCHEMBL31556648

CC(C)(C)OC(=O)N1CCC(c2ccccc2CN2C(=C=S)NC(=O)c3[nH]ccc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ THRB P10828 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ GPR119 Q8TDV5 4/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ UTS2R Q9UKP6 1/20 0.37
▸ STS P08842 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ HPGDS O60760 1/20 0.35

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
SCHEMBL31556694 0.91 JAK2 (0.41) MAPTSMN1; SMN2GPR119JAK2JAK1
SCHEMBL31556718 0.86 TSHR (0.36) MAPTGPR119TP53
SCHEMBL31556669 0.85 TSHR (0.36) MAPTGPR119TP53
SCHEMBL31556631 0.83 TSHR (0.32) JAK1TP53
SCHEMBL31556639 0.83 TSHR (0.32) JAK1TP53
SCHEMBL31556524 0.81 SLC6A2 (0.37) —
SCHEMBL31556686 0.80 CRBN (0.45) JAK2JAK1NAMPT
SCHEMBL31556672 0.78 ALDH1A1 (0.44) MAPTTP53
SCHEMBL31556625 0.76 MEN1 (0.37) JAK2JAK1NAMPT
SCHEMBL31556585 0.76 MPO (0.32) —

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-119894896-A Inhibitors of green peroxidase 阿斯利康(瑞典)有限公司 2025-04-25 — — CN disclosed
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