SCHEMBL26680663

SCHEMBL26680663

C=CCOC(=O)c1ccc(N2CCN(Cc3cc(OC(F)(F)F)cc(-c4cccc(O)c4)c3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CHRM4 P08173 6/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ ITGB3 P05106 2/20 0.38
▸ ITGA2B P08514 2/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ SLC6A7 Q99884 1/20 0.37
▸ PPARD Q03181 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ MAPT P10636 2/20 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
SCHEMBL26681332 0.89 LMNA (0.47) MEN1KMT2ALMNAMAPK1RAB9A
SCHEMBL26683121 0.89 MEN1 (0.43) MEN1KMT2ALMNAMAPK1RAB9A
SCHEMBL26683005 0.89 MEN1 (0.44) MEN1KMT2ALMNAMAPK1RAB9A
SCHEMBL26681667 0.89 KMT2A (0.42) MEN1KMT2ALMNAITGB3ITGA2B
SCHEMBL26682956 0.87 ITGB3 (0.44) CHRM4CHRM3ITGB3ITGA2BCHRM2
SCHEMBL26682082 0.83 OPRD1 (0.44) CHRM3ITGB3ITGA2BPPARDPPARA
SCHEMBL30687743 0.81 CHRM3 (0.46) CHRM4CHRM3CHRM2DRD2DRD3
SCHEMBL26682995 0.81 CHRM3 (0.46) CHRM4CHRM3CHRM2DRD2DRD3
SCHEMBL26681477 0.81 BCL2 (0.47) KMT2ALMNACHRM4CHRM3ABL1
SCHEMBL26680364 0.81 MAPT (0.61) KMT2ALMNARAB9AABL1KCNH2

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
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 — — EP disclosed
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