SCHEMBL11675558

SCHEMBL11675558

CCN(c1ccccc1)C(C)OC(=O)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ HTT P42858 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 3/20 0.48
▸ HPGD P15428 2/20 0.47
▸ POLB P06746 3/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ FPR2 P25090 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ ALOX15 P16050 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
SCHEMBL11676680 0.87 MAPT (0.50) KMT2AHTTMAPTMEN1ALDH1A1
SCHEMBL11676807 0.86 MEN1 (0.61) KMT2AHTTMAPTMEN1MAPK1
SCHEMBL10409304 0.85 KMT2A (0.50) KMT2AHTTMAPTMEN1ALDH1A1
SCHEMBL11677282 0.81 HPGD (0.54) KMT2AHTTMAPTMEN1MAPK1
SCHEMBL11677251 0.80 PPARG (0.43) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL11660003 0.78 THRB (0.45) KMT2AHTTMAPTMEN1MAPK1
SCHEMBL11674587 0.76 MTNR1B (0.52) HTTALDH1A1HPGDNPC1RAB9A
SCHEMBL11676725 0.75 KMT2A (0.44) KMT2AHTTMAPTMEN1ALDH1A1
SCHEMBL10608407 0.75 HTT (0.71) KMT2AHTTMAPTMEN1MAPK1
SCHEMBL11676164 0.75 MEN1 (0.50) KMT2AHTTMAPTMEN1MAPK1

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
US-4051117-A Triazole-azo-phenyl cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US disclosed
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