SCHEMBL31556650

SCHEMBL31556650

CC(C)(C)OC(=O)N1CCCCC1c1ncccc1CN1C(=C=S)NC(=O)c2[nH]ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.34
▸ POLB P06746 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ UCHL1 P09936 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CALCA P06881 1/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ BUB1 O43683 1/20 0.32
▸ DTYMK P23919 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
SCHEMBL31556664 0.89 CALCA (0.32) POLBLMNAALDH1A1TP53GLA
SCHEMBL31556693 0.89 CALCA (0.32) POLBLMNAALDH1A1TP53GLA
SCHEMBL31556718 0.88 TSHR (0.36) TSHRLMNAALDH1A1TP53GLA
SCHEMBL31556669 0.87 TSHR (0.36) TSHRLMNAALDH1A1TP53GLA
SCHEMBL31556679 0.83 ALDH1A1 (0.42) TSHRPOLBLMNAALDH1A1UCHL1
SCHEMBL31556672 0.81 ALDH1A1 (0.44) TSHRPOLBLMNAALDH1A1TP53
SCHEMBL31556639 0.78 TSHR (0.32) TSHRLMNAALDH1A1TP53GLA
SCHEMBL31556631 0.78 TSHR (0.32) TSHRLMNAALDH1A1TP53GLA
SCHEMBL31556535 0.77 MPO (0.38) POLBMEN1KMT2A
SCHEMBL31556648 0.77 MAPT (0.40) KDM4ETP53MAPTJAK1

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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