SCHEMBL29940926

SCHEMBL29940926

Cc1ccccc1Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.60
▸ ALDH1A1 P00352 6/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ TDP1 Q9NUW8 4/20 0.59
▸ ALOX15 P16050 4/20 0.59
▸ ALOX12 P18054 3/20 0.59
▸ L3MBTL1 Q9Y468 3/20 0.59
▸ TSHR P16473 3/20 0.59
▸ PTGS1 P23219 1/20 0.59
▸ SLC6A2 P23975 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ PTGS2 P35354 1/20 0.59
▸ HTR2B P41595 1/20 0.59
▸ MAPT P10636 8/20 0.52
▸ GAA P10253 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ RECQL P46063 2/20 0.52
▸ GLA P06280 1/20 0.52

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
SCHEMBL5697158 1.00 HPGD (0.60) HPGDALDH1A1HSD17B10TDP1ALOX15
SCHEMBL304152 0.95 MAPT (0.56) HPGDALDH1A1HSD17B10TDP1ALOX15
SCHEMBL108882 0.93 MAPT (0.54) HPGDALDH1A1HSD17B10TDP1ALOX15
SCHEMBL29653984 0.93 MAPT (0.54) HPGDALDH1A1HSD17B10TDP1ALOX15
SCHEMBL12320135 0.91 MAPT (0.52) HPGDALDH1A1HSD17B10TDP1ALOX15
SCHEMBL28235661 0.89 HPGD (0.64) HPGDALDH1A1HSD17B10TDP1ALOX15
SCHEMBL17858148 0.87 PTGER4 (0.49) HPGDALDH1A1HSD17B10TDP1ALOX15
SCHEMBL3686455 0.86 GAA (0.64) HPGDTDP1L3MBTL1MAPTGAA
SCHEMBL512863 0.86 MAPT (0.48) HPGDALDH1A1HSD17B10TDP1ALOX15
SCHEMBL23369883 0.85 MEN1 (0.52) HPGDALDH1A1HSD17B10TDP1ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116589361-A Preparation method of diaryl p-phenylenediamine compound 圣奥化学科技有限公司 2023-08-15 — — CN disclosed
CN-115318230-A Rubber antioxidant production reaction kettle 扬州市业昌助剂有限公司 2022-11-11 — — CN disclosed
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