SCHEMBL11455940

SCHEMBL11455940

COC(C)CONc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TSHR P16473 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ ALOX12 P18054 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ LMNA P02545 3/20 0.34
▸ RECQL P46063 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GRM4 Q14833 2/20 0.34

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
SCHEMBL2255462 0.82 ALDH1A1 (0.50) MAPTTDP1ALDH1A1HPGDTSHR
SCHEMBL30536022 0.78 MAOA (0.42) MAPTTDP1ALDH1A1HPGDTSHR
SCHEMBL8942379 0.78 LMNA (0.52) MAPTTDP1ALDH1A1HPGDTSHR
SCHEMBL10615370 0.78 MAPT (0.38) MAPTALDH1A1HPGDTSHRCYP3A4
SCHEMBL10582846 0.77 TDP1 (0.39) MAPTTDP1ALDH1A1HPGDTSHR
SCHEMBL10437694 0.76 MAPT (0.39) MAPTTDP1ALDH1A1HPGDTSHR
SCHEMBL10584520 0.75 MAPT (0.36) MAPTTDP1ALDH1A1HPGDTSHR
SCHEMBL1581900 0.72 GAA (0.39) MAPTTDP1ALDH1A1HPGDLMNA
SCHEMBL11204590 0.71 MAPT (0.40) MAPTTDP1ALDH1A1HPGDTSHR
SCHEMBL27753606 0.71 ALDH1A1 (0.42) MAPTTDP1ALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4203901-A Process for making N-(N'-methylenepyrrolidonyl)-2-substituted anilines GAF CORPORATION (US) 1980-05-20 — — US disclosed
US-4202821-A N-(N'-Methylenepyrrolidonyl)-2-substituted anilines GAF CORPORATION (US) 1980-05-13 — — US disclosed
US-4178168-A Herbicidal n-(haloacetyl)-n-(n-methylene pyrrolidonyl)-2-oxyalkyleneoxyalkylanilines GAF CORPORATION (US) 1979-12-11 — — US disclosed
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