SCHEMBL30999951

SCHEMBL30999951

O=C1NC(=O)C(N2CCc3ccccc32)=C1c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 1.00
▸ GSK3A P49840 1/20 0.59
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SRD5A1 P18405 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ BRCA1 P38398 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38

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
SCHEMBL30999985 0.89 GSK3B (0.81) GSK3BGSK3AMAPTMEN1KMT2A
SCHEMBL30999966 0.85 GSK3B (0.74) GSK3BGSK3AMAPTSRD5A1
SCHEMBL30999969 0.85 GSK3B (0.74) GSK3BGSK3AMAPTSRD5A1
SCHEMBL31000001 0.79 GSK3B (0.83) GSK3BGSK3ASRD5A1
SCHEMBL6586836 0.76 GSK3B (1.00) GSK3BGSK3AMAPTMEN1KMT2A
SCHEMBL5946290 0.74 GSK3B (0.65) GSK3BGSK3A
SCHEMBL30999936 0.72 GSK3B (0.76) GSK3BGSK3ASRD5A1TSHR
SCHEMBL5686110 0.71 GSK3B (0.55) GSK3BMAPTMEN1KMT2AALDH1A1
SCHEMBL6583043 0.69 GSK3B (0.52) GSK3BGSK3AMAPTSRD5A1ALDH1A1
SCHEMBL20267338 0.69 GSK3B (0.55) GSK3BGSK3AMAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024163852-A1 HISTIDINE KINASE INHIBITORS AS ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-08-08 — — WO claimed
WO-2024163852-A1 HISTIDINE KINASE INHIBITORS AS ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-08-08 — — WO disclosed
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