SCHEMBL31125280

SCHEMBL31125280

FC(F)(F)c1ccc(Br)cc1C#CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.40
▸ HTR2C P28335 2/20 0.35
▸ AR P10275 8/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ ADRA2A P08913 1/20 0.30
▸ PNMT P11086 1/20 0.30
▸ RBP4 P02753 1/20 0.30

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
SCHEMBL31125232 0.81 GAA (0.42) KDM1AHTR2CARPTPN11
SCHEMBL30945197 0.72 AR (0.43) KDM1AAR
SCHEMBL662161 0.72 AR (0.43) KDM1AAR
SCHEMBL16762010 0.71 KDM1A (0.58) KDM1AHTR2CRBP4
SCHEMBL21249069 0.71 PTPN11 (0.35) PTPN11
SCHEMBL5492681 0.71 GLA (0.46) HTR2CARPTPN11
SCHEMBL24633967 0.70 KDM1A (0.49) KDM1AHTR2CADRA2APNMTRBP4
SCHEMBL28127972 0.70 KDM1A (0.62) KDM1AHTR2CRBP4
SCHEMBL11224502 0.70 HTR2C (0.44) HTR2CARRBP4
SCHEMBL11239227 0.69 GRM5 (0.45) HTR2CRBP4

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-118852145-A GSPT1 degradation agent and application thereof 南京圣和药业股份有限公司 2024-10-29 — — CN disclosed
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