Sugi Predict

Sugi Predict / Compounds / SCHEMBL29050442

SCHEMBL29050442

SCHEMBL29050442

c1ccc(Nc2ccc(NC(C3CCCCC3)C3CCCCC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ ALOX12 P18054 5/20 0.53
▸ TDP1 Q9NUW8 4/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ LMNA P02545 4/20 0.53
▸ ALOX15 P16050 4/20 0.53
▸ L3MBTL1 Q9Y468 4/20 0.53
▸ TSHR P16473 3/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ THRB P10828 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ MAPT P10636 6/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ GAA P10253 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ PTGS1 P23219 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46

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
SCHEMBL17165749 0.82 TDP1 (0.46) ALDH1A1ALOX12TDP1HSD17B10LMNA
SCHEMBL9514274 0.76 MAPT (0.58) ALDH1A1ALOX12TDP1HSD17B10LMNA
SCHEMBL809549 0.76 MAPT (0.58) ALDH1A1ALOX12TDP1HSD17B10LMNA
SCHEMBL809612 0.76 MAPT (0.58) ALDH1A1ALOX12TDP1HSD17B10LMNA
SCHEMBL39716 0.76 MAPT (0.58) ALDH1A1ALOX12TDP1HSD17B10LMNA
SCHEMBL11356806 0.76 MAPT (0.58) ALDH1A1ALOX12TDP1HSD17B10LMNA
SCHEMBL1848681 0.76 MAPT (0.58) ALDH1A1ALOX12TDP1HSD17B10LMNA
Diphenylamine SCHEMBL11772699 0.75 MAPT (0.57) ALDH1A1ALOX12TDP1HSD17B10LMNA
Hydrochloric Acid SCHEMBL23089912 0.74 MAPT (0.57) ALDH1A1ALOX12TDP1HSD17B10LMNA
SCHEMBL10709950 0.74 TDP1 (0.43) ALDH1A1ALOX12TDP1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116589364-B N-dicyclohexylmethyl-N' -phenyl-1, 4-phenylenediamine as well as preparation method and application thereof 山东阳谷华泰化工股份有限公司 2024-07-23 — — CN claimed
CN-116589364-A N-dicyclohexylmethyl-N' -phenyl-1, 4-phenylenediamine as well as preparation method and application thereof 山东阳谷华泰化工股份有限公司 2023-08-15 — — CN claimed
CN-116589364-B N-dicyclohexylmethyl-N' -phenyl-1, 4-phenylenediamine as well as preparation method and application thereof 山东阳谷华泰化工股份有限公司 2024-07-23 — — CN disclosed
CN-116589364-B N-dicyclohexylmethyl-N' -phenyl-1, 4-phenylenediamine as well as preparation method and application thereof 山东阳谷华泰化工股份有限公司 2024-07-23 — — CN disclosed
CN-116589364-B N-dicyclohexylmethyl-N' -phenyl-1, 4-phenylenediamine as well as preparation method and application thereof 山东阳谷华泰化工股份有限公司 2024-07-23 — — CN disclosed
CN-117069595-A 2-methyl-N, N-bis (4-methylpentane-2-yl) cyclohexane-1, 3-diamine and preparation method and application thereof 山东阳谷华泰化工股份有限公司 2023-11-17 — — CN disclosed
CN-116589364-A N-dicyclohexylmethyl-N' -phenyl-1, 4-phenylenediamine as well as preparation method and application thereof 山东阳谷华泰化工股份有限公司 2023-08-15 — — CN disclosed
CN-116589364-A N-dicyclohexylmethyl-N' -phenyl-1, 4-phenylenediamine as well as preparation method and application thereof 山东阳谷华泰化工股份有限公司 2023-08-15 — — CN disclosed
CN-116589364-A N-dicyclohexylmethyl-N' -phenyl-1, 4-phenylenediamine as well as preparation method and application thereof 山东阳谷华泰化工股份有限公司 2023-08-15 — — CN disclosed