SCHEMBL31620111

SCHEMBL31620111

COc1ccc(CN2C(=O)CCC(n3nc(C)c4cc(C5CCN(C(=O)OC(C)(C)C)CC5)c(F)cc43)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TP53 P04637 6/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ BACE1 P56817 2/20 0.37
▸ CTSD P07339 1/20 0.36
▸ CTSE P14091 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ KDM1A O60341 1/20 0.36

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
SCHEMBL31612864 1.00 HTT (0.42) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL31282113 0.86 PIK3CA (0.41) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL31612887 0.85 JAK1 (0.38) TLR7
SCHEMBL31620106 0.85 JAK1 (0.38) TLR7
SCHEMBL31134648 0.84 MAPT (0.44) HTTALDH1A1MEN1KMT2ATSHR
SCHEMBL31134476 0.81 MAPT (0.41) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL31612878 0.79 PDE1B (0.40) ALDH1A1MEN1KMT2ATSHR
SCHEMBL31620071 0.79 MAPT (0.41) ALDH1A1MEN1KMT2ATP53BACE1
SCHEMBL31281923 0.77 TP53 (0.40) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL24608046 0.77 TP53 (0.41) HTTALDH1A1KDM4EHPGDMEN1

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
WO-2025119380-A1 ESTROGEN RECEPTOR MODULATOR AND USE THEREOF 江苏威凯尔医药科技股份有限公司 2025-06-12 — — WO disclosed
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