SCHEMBL10447056

SCHEMBL10447056

O=C(Nc1ccc(F)cc1F)N(Cc1ccc(Cl)cc1)C1Cc2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 7/20 0.51
▸ DCUN1D1 Q96GG9 7/20 0.51
▸ TAS1R3 Q7RTX0 2/20 0.44
▸ TAS1R1 Q7RTX1 2/20 0.44
▸ TAS1R2 Q8TE23 2/20 0.44
▸ C5AR1 P21730 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CCR1 P32246 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41

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) UBE2MDCUN1D1TAS1R3TAS1R1TAS1R2
SCHEMBL10447033 0.89 UBE2M (0.49) UBE2MDCUN1D1TAS1R3TAS1R1TAS1R2
SCHEMBL9756708 0.85 PKM (0.44) UBE2MDCUN1D1TAS1R3TAS1R1TAS1R2
SCHEMBL10446628 0.84 UBE2M (0.49) UBE2MDCUN1D1TAS1R3TAS1R1TAS1R2
SCHEMBL10446648 0.84 UBE2M (0.51) UBE2MDCUN1D1TAS1R3TAS1R1TAS1R2
SCHEMBL10446830 0.83 MEN1 (0.52) UBE2MDCUN1D1TAS1R3TAS1R1TAS1R2
SCHEMBL10446687 0.83 UBE2M (0.48) UBE2MDCUN1D1TAS1R3TAS1R1TAS1R2
SCHEMBL10447006 0.83 UBE2M (0.46) UBE2MDCUN1D1TAS1R3TAS1R1TAS1R2
SCHEMBL10446599 0.82 MEN1 (0.44) UBE2MDCUN1D1TAS1R3TAS1R1TAS1R2
SCHEMBL10447157 0.81 NPSR1 (0.48) UBE2MDCUN1D1TAS1R3TAS1R1TAS1R2

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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