SCHEMBL9756708

SCHEMBL9756708

O=C(Nc1ccc(F)cc1F)N(Cc1ccccc1Cl)C1Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ TAS1R2 Q8TE23 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ UBE2M P61081 3/20 0.41
▸ DCUN1D1 Q96GG9 3/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GHSR Q92847 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL10446779 0.88 PKM (0.46) PKMTAS1R3TAS1R1TAS1R2HTT
SCHEMBL10447005 0.86 MEN1 (0.52) PKMTAS1R3TAS1R1TAS1R2HTT
SCHEMBL10447056 0.85 UBE2M (0.51) TAS1R3TAS1R1TAS1R2HTTMAPT
SCHEMBL10446781 0.84 UBE2M (0.47) PKMTAS1R3TAS1R1TAS1R2HTT
SCHEMBL10447008 0.83 UBE2M (0.46) PKMTAS1R3TAS1R1TAS1R2HTT
SCHEMBL10446676 0.82 HTT (0.43) PKMTAS1R3TAS1R1TAS1R2HTT
SCHEMBL10447047 0.81 HTT (0.42) PKMTAS1R3TAS1R1TAS1R2HTT
SCHEMBL10446762 0.81 UBE2M (0.52) PKMTAS1R3TAS1R1TAS1R2HTT
SCHEMBL10447033 0.81 UBE2M (0.49) TAS1R3TAS1R1TAS1R2HTTUBE2M
SCHEMBL10447156 0.81 HTR2A (0.45) HTTMAPTKMT2AALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3261755-A — — None — — JP disclosed
JP-H03261755-A BENZOCYCLOALKANE DERIVATIVE AND PRODUCTION AND DRUG THEREOF TAKEDA CHEM IND LTD 1991-11-21 — — JP disclosed
EP-0399422-A1 Benzocycloalkane derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1990-11-28 — — EP disclosed
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