SCHEMBL10447005

SCHEMBL10447005

COc1ccccc1CN(C(=O)Nc1ccc(F)cc1F)C1Cc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MAPT P10636 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ RAB9A P51151 2/20 0.48
▸ PKM P14618 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL10446564 0.92 KDM4E (0.49) MEN1KMT2AMAPTL3MBTL1RAB9A
SCHEMBL10446783 0.90 RAB9A (0.44) MEN1KMT2AMAPTL3MBTL1RAB9A
SCHEMBL10447101 0.89 RAB9A (0.43) MEN1KMT2AMAPTL3MBTL1RAB9A
SCHEMBL10446779 0.88 PKM (0.46) MAPTL3MBTL1RAB9APKMHTT
SCHEMBL10446830 0.87 MEN1 (0.52) MEN1KMT2AMAPTL3MBTL1RAB9A
SCHEMBL10447157 0.87 NPSR1 (0.48) MEN1KMT2AMAPTL3MBTL1RAB9A
SCHEMBL10446424 0.87 RAB9A (0.46) MEN1KMT2AMAPTL3MBTL1RAB9A
SCHEMBL10447156 0.87 HTR2A (0.45) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL10446599 0.86 MEN1 (0.44) MEN1KMT2AMAPTL3MBTL1RAB9A
SCHEMBL9756708 0.86 PKM (0.44) MEN1KMT2AMAPTL3MBTL1RAB9A

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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