SCHEMBL10802871

SCHEMBL10802871

NN=Nc1ccc(Nc2cccc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ TSHR P16473 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ CDC25B P30305 1/20 0.61
▸ ATM Q13315 1/20 0.61
▸ RAB9A P51151 1/20 0.54
▸ FADS1 O60427 1/20 0.47
▸ RECQL P46063 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ SIRT2 Q8IXJ6 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
SCHEMBL11588172 0.90 HSD17B10 (0.69) ALDH1A1HSD17B10TSHRTP53CYP3A4
SCHEMBL11588174 0.90 HSD17B10 (0.69) ALDH1A1HSD17B10TSHRTP53CYP3A4
SCHEMBL1348098 0.87 ALDH1A1 (0.70) ALDH1A1HSD17B10TSHRTP53CYP3A4
SCHEMBL29619354 0.82 HSD17B10 (0.87) ALDH1A1HSD17B10TSHRTP53CYP3A4
SCHEMBL651572 0.82 HSD17B10 (0.87) ALDH1A1HSD17B10TSHRTP53CYP3A4
SCHEMBL27568879 0.80 HSD17B10 (0.65) ALDH1A1HSD17B10TSHRTP53CYP3A4
SCHEMBL8966290 0.80 ALDH1A1 (0.65) ALDH1A1HSD17B10TSHRTP53CYP3A4
SCHEMBL27924058 0.79 ALDH1A1 (0.96) ALDH1A1HSD17B10TSHRTP53CYP3A4
SCHEMBL29813142 0.78 ALDH1A1 (0.71) ALDH1A1HSD17B10TSHRTP53CYP3A4
SCHEMBL94482 0.78 ALDH1A1 (0.71) ALDH1A1HSD17B10TSHRTP53CYP3A4

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-4670548-A Sulfo-group-containing trisazo dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1987-06-02 — — US disclosed
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