SCHEMBL4536453

SCHEMBL4536453

Cc1[nH]c2ccc(Oc3c(Br)cccc3Br)cc2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ AHR P35869 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ KMT2A Q03164 7/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 1/20 0.39
▸ TUBB4B P68371 1/20 0.39
▸ TUBB3 Q13509 1/20 0.39
▸ TUBB2A Q13885 1/20 0.39
▸ TUBB8 Q3ZCM7 1/20 0.39
▸ TUBA3E Q6PEY2 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
SCHEMBL3924708 0.79 THRB (0.54) KDM4EALDH1A1HPGDTHRB
SCHEMBL28364130 0.78 AHR (0.52) MAPTAHRKDM4EALDH1A1HPGD
SCHEMBL4522420 0.77 THRB (0.55) MAPTKDM4EALDH1A1HPGDTHRB
SCHEMBL4374342 0.74 ALDH1A1 (0.68) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL17444608 0.72 KDM4E (0.65) MAPTKDM4EALDH1A1HPGDTHRB
SCHEMBL18889429 0.71 AHR (0.40) MAPTAHRKDM4EALDH1A1HPGD
SCHEMBL18906772 0.71 ALDH1A1 (0.44) MAPTAHRKDM4EALDH1A1HPGD
SCHEMBL18262987 0.70 HCRTR1 (0.52) MAPTKDM4EALDH1A1HPGDTHRB
SCHEMBL30547021 0.70 HPGD (0.55) MAPTAHRKDM4EALDH1A1HPGD
SCHEMBL410289 0.70 HPGD (0.55) MAPTAHRKDM4EALDH1A1HPGD

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
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 — — WO claimed
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