SCHEMBL31556694

SCHEMBL31556694

CC(C)(C)OC(=O)N1CCCC(c2ccccc2CN2C(=C=S)NC(=O)c3[nH]ccc32)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ HPGDS O60760 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ ACKR3 P25106 1/20 0.37
▸ PRMT5 O14744 2/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ USP30 Q70CQ3 2/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ CTSD P07339 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
SCHEMBL31556648 0.91 MAPT (0.40) JAK2JAK1HPGDSGPR119MAPT
SCHEMBL31556718 0.86 TSHR (0.36) USP30KDM1AGPR119MAPTMEN1
SCHEMBL31556669 0.85 TSHR (0.36) USP30KDM1AGPR119MAPTMEN1
SCHEMBL31556631 0.81 TSHR (0.32) JAK1ALDH1A1
SCHEMBL31556639 0.81 TSHR (0.32) JAK1ALDH1A1
SCHEMBL31556672 0.79 ALDH1A1 (0.44) USP30MAPTMEN1ALDH1A1KMT2A
SCHEMBL31556686 0.78 CRBN (0.45) JAK2JAK1BRD4
SCHEMBL31556585 0.77 MPO (0.32) PRMT5WDR77HTR6
SCHEMBL31556650 0.77 TSHR (0.34) JAK1USP30MAPTMEN1ALDH1A1
SCHEMBL31556524 0.77 SLC6A2 (0.37) HTR6

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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