SCHEMBL10446762

SCHEMBL10446762

Cc1ccc(CN(C(=O)Nc2ccc(F)cc2F)C2Cc3ccccc3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 7/20 0.52
▸ DCUN1D1 Q96GG9 7/20 0.52
▸ HTT P42858 1/20 0.46
▸ TP53 P04637 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ TAS1R2 Q8TE23 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ PPARD Q03181 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ SOAT1 P35610 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ GCGR P47871 1/20 0.42
▸ PKM P14618 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 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
SCHEMBL10446648 0.90 UBE2M (0.51) UBE2MDCUN1D1HTTTAS1R3TAS1R1
SCHEMBL10447056 0.90 UBE2M (0.51) UBE2MDCUN1D1HTTTAS1R3TAS1R1
SCHEMBL10447033 0.89 UBE2M (0.49) UBE2MDCUN1D1HTTTAS1R3TAS1R1
SCHEMBL10446781 0.88 UBE2M (0.47) UBE2MDCUN1D1HTTTP53TAS1R3
SCHEMBL10447008 0.87 UBE2M (0.46) UBE2MDCUN1D1HTTTAS1R3TAS1R1
SCHEMBL10447090 0.87 HTT (0.45) UBE2MDCUN1D1HTTTAS1R3TAS1R1
SCHEMBL10446779 0.85 PKM (0.46) UBE2MDCUN1D1HTTTAS1R3TAS1R1
SCHEMBL10446830 0.85 MEN1 (0.52) UBE2MDCUN1D1HTTTAS1R3TAS1R1
SCHEMBL10446628 0.84 UBE2M (0.49) UBE2MDCUN1D1HTTTAS1R3TAS1R1
SCHEMBL10446680 0.84 UBE2M (0.50) UBE2MDCUN1D1HTTTP53PPARG

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
Send feedback