SCHEMBL31556672

SCHEMBL31556672

CC(C)(C)OC(=O)N1CCCC1c1cc(Cl)ccc1CN1C(=C=S)NC(=O)c2[nH]ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ TSHR P16473 4/20 0.42
▸ LMNA P02545 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ POLB P06746 1/20 0.37
▸ USP30 Q70CQ3 2/20 0.34
▸ UCHL1 P09936 1/20 0.34
▸ APP P05067 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HTR1D P28221 1/20 0.34

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
SCHEMBL31556679 0.98 ALDH1A1 (0.42) ALDH1A1TSHRLMNAMAPTNPSR1
SCHEMBL31556674 0.90 ALDH1A1 (0.36) ALDH1A1TSHRLMNAMAPTNPSR1
SCHEMBL31556718 0.87 TSHR (0.36) ALDH1A1TSHRLMNAMAPTNPSR1
SCHEMBL31556669 0.86 TSHR (0.36) ALDH1A1TSHRLMNAMAPTNPSR1
SCHEMBL31556685 0.84 ALDH1A1 (0.40) ALDH1A1TSHRLMNAMAPTNPSR1
SCHEMBL31556650 0.81 TSHR (0.34) ALDH1A1TSHRLMNAMAPTNPSR1
SCHEMBL31556694 0.79 JAK2 (0.41) ALDH1A1MAPTMEN1KMT2AUSP30
SCHEMBL31556639 0.79 TSHR (0.32) ALDH1A1TSHRLMNATP53GLA
SCHEMBL31556581 0.77 MPO (0.35) —
SCHEMBL31556596 0.77 MPO (0.35) —

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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