SCHEMBL29853295

SCHEMBL29853295

c1ccc(N=NON=Nc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.61
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TDP1 Q9NUW8 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ MAPK1 P28482 3/20 0.41
▸ TRPA1 O75762 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ SENP8 Q96LD8 2/20 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
SCHEMBL11756021 0.78 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL11756014 0.78 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL3687133 0.78 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL10818068 0.78 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL3358934 0.78 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTNPC1
Azobenzene SCHEMBL11878769 0.77 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTNPC1
Azobenzene SCHEMBL6703357 0.77 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTNPC1
Azobenzene SCHEMBL32032 0.77 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTNPC1
Azobenzene SCHEMBL6562161 0.77 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTNPC1
Azobenzene SCHEMBL11124477 0.77 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTNPC1

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
CN-115052677-A Use of alkali metal hydroxide solutions for the regeneration of extraction columns 彭特科尔有限公司 2022-09-13 — — CN disclosed
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