SCHEMBL10446783

SCHEMBL10446783

COc1cc(C)c(CN(C(=O)Nc2ccc(F)cc2F)C2Cc3ccccc3C2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.44
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ UBE2M P61081 2/20 0.40
▸ DCUN1D1 Q96GG9 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39

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
SCHEMBL10447005 0.90 MEN1 (0.52) RAB9AMEN1KMT2AMAPTL3MBTL1
SCHEMBL10446676 0.88 HTT (0.43) RAB9AL3MBTL1HTTUBE2MDCUN1D1
SCHEMBL10447101 0.86 RAB9A (0.43) RAB9AMEN1KMT2AMAPTL3MBTL1
SCHEMBL10446781 0.86 UBE2M (0.47) RAB9AMEN1KMT2AMAPTHTT
SCHEMBL10446779 0.86 PKM (0.46) RAB9AMAPTL3MBTL1HTTUBE2M
SCHEMBL10446564 0.85 KDM4E (0.49) RAB9AMEN1KMT2AMAPTL3MBTL1
SCHEMBL10447008 0.85 UBE2M (0.46) L3MBTL1HTTUBE2MDCUN1D1CYP3A4
SCHEMBL10447157 0.83 NPSR1 (0.48) RAB9AMEN1KMT2AMAPTL3MBTL1
SCHEMBL10446424 0.83 RAB9A (0.46) RAB9AMEN1KMT2AMAPTL3MBTL1
SCHEMBL10446830 0.83 MEN1 (0.52) RAB9AMEN1KMT2AMAPTL3MBTL1

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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