SCHEMBL10446648

SCHEMBL10446648

Cc1cccc(CN(C(=O)Nc2ccc(F)cc2F)C2Cc3ccccc3C2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 11/20 0.51
▸ DCUN1D1 Q96GG9 11/20 0.51
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL10446762 0.90 UBE2M (0.52) UBE2MDCUN1D1MAPTHTTTAS1R3
SCHEMBL10446781 0.86 UBE2M (0.47) UBE2MDCUN1D1MAPTHTTTAS1R3
SCHEMBL10447008 0.85 UBE2M (0.46) UBE2MDCUN1D1HTTTAS1R3TAS1R1
SCHEMBL10447090 0.85 HTT (0.45) UBE2MDCUN1D1HTTTAS1R3TAS1R1
SCHEMBL10446779 0.84 PKM (0.46) UBE2MDCUN1D1MAPTHTTTAS1R3
SCHEMBL10447056 0.84 UBE2M (0.51) UBE2MDCUN1D1MAPTHTTTAS1R3
SCHEMBL10446869 0.83 PPARG (0.43) UBE2MDCUN1D1HTTTAS1R3TAS1R1
SCHEMBL10446830 0.83 MEN1 (0.52) UBE2MDCUN1D1MAPTHTTTAS1R3
SCHEMBL10447006 0.83 UBE2M (0.46) UBE2MDCUN1D1MAPTHTTTAS1R3
SCHEMBL10447033 0.83 UBE2M (0.49) UBE2MDCUN1D1HTTTAS1R3TAS1R1

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-0399422-A1 Benzocycloalkane derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1990-11-28 — — EP disclosed
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