SCHEMBL31556674

SCHEMBL31556674

CC(C)(C)OC(=O)N1CCOCC1c1cc(Cl)ccc1CN1C(=C=S)NC(=O)c2[nH]ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ F2 P00734 2/20 0.33
▸ F9 P00740 2/20 0.33
▸ F10 P00742 2/20 0.33
▸ F12 P00748 2/20 0.33
▸ PRSS1 P07477 2/20 0.33
▸ PRSS2 P07478 2/20 0.33
▸ F7 P08709 2/20 0.33
▸ PRSS3 P35030 2/20 0.33
▸ POLB P06746 1/20 0.31
▸ JAK1 P23458 2/20 0.31
▸ UTS2R Q9UKP6 3/20 0.31
▸ MALT1 Q9UDY8 1/20 0.31

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
SCHEMBL31556672 0.90 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL31556631 0.90 TSHR (0.32) ALDH1A1LMNATSHRJAK1
SCHEMBL31556639 0.90 TSHR (0.32) ALDH1A1LMNATSHRJAK1
SCHEMBL31556679 0.89 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL31556635 0.88 MEN1 (0.36) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL31556718 0.78 TSHR (0.36) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL31556612 0.78 — —
SCHEMBL31556547 0.78 — —
SCHEMBL31556623 0.78 — —
SCHEMBL31556563 0.78 — —

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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