SCHEMBL11687315

SCHEMBL11687315

Nc1cc(Cl)c(Cl)cc1Cl.Nc1ccc(N)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.67
▸ CYP3A4 P08684 8/20 0.55
▸ TSHR P16473 6/20 0.55
▸ ALDH1A1 P00352 4/20 0.46
▸ THRB P10828 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA7 P43166 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
SCHEMBL204719 0.88 GAA (0.86) GAACYP3A4TSHRALDH1A1HPGD
SCHEMBL64092 0.82 GAA (1.00) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL29169963 0.81 CYP3A4 (0.68) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL398461 0.78 GAA (0.79) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL5492502 0.78 GAA (0.79) GAACYP3A4TSHRALDH1A1THRB
Hydrochloric Acid SCHEMBL28016984 0.78 GAA (0.92) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL9082347 0.77 TSHR (0.81) GAACYP3A4TSHRALDH1A1THRB
3-Chloroaniline SCHEMBL11784717 0.77 ALDH1A1 (0.71) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL11826575 0.75 CD44 (0.56) GAACYP3A4TSHRALDH1A1THRB
SCHEMBL203217 0.75 GAA (0.71) GAACYP3A4TSHRALDH1A1THRB

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-4055559-A ACETYLACETANILIDO CIBA-GEIGY CORPORATION (US) 1977-10-25 — — US disclosed
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