SCHEMBL9480701

SCHEMBL9480701

O=CNC=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
LMNA P02545 2/20 0.52
TRPA1 O75762 1/20 0.52
ALOX5 P09917 1/20 0.52
MAPK1 P28482 1/20 0.52
EGFR P00533 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAOB P27338 3/20 0.48
CYP2A6 P11509 1/20 0.48
HDAC1 Q13547 5/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
MAPT P10636 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44

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
SCHEMBL28852837 1.00 ALDH1A1 (0.52) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL264894 0.87 MAOB (0.55) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL264895 0.87 MAOB (0.55) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL31635870 0.80 EGFR (0.55) ALDH1A1EGFRCYP2A6MAPTTDP1
SCHEMBL15946401 0.78 MAOB (0.46) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL11498707 0.78 ALDH1A1 (0.46) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL1507418 0.77 MAOB (0.50) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL12719046 0.77 MAOB (0.50) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL991992 0.77 NPC1 (0.52) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL17995260 0.77 MAOB (0.50) ALDH1A1LMNATRPA1ALOX5MAPK1

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-113200891-B Preparation method of cis-N-styryl amide derivative 华侨大学 2022-09-30 CN claimed
CN-113200891-A Preparation method of cis-N-styryl amide derivative 华侨大学 2021-08-03 CN claimed
CN-113200891-B Preparation method of cis-N-styryl amide derivative 华侨大学 2022-09-30 CN disclosed
CN-113200891-A Preparation method of cis-N-styryl amide derivative 华侨大学 2021-08-03 CN disclosed
CN-1098260-C 2,4-diaminopyrimidine derivatives BASLIR PHARMACEUTICALS AG (CH) 2003-01-08 CN disclosed
CN-1218465-A 2,4-diaminopyrimidine derivatives HOFFMANN LA ROCHE (CH) 1999-06-02 CN disclosed
US-5208341-A Pressure sensitive copying; thermoreactive or electrochromic recording materials BAYER AKTIENGESELLSCHAFT (DE) 1993-05-04 US disclosed
EP-0480276-A2 Carbonylaminostyrene derivatives as recording material BAYER AG (DE) 1992-04-15 EP disclosed
EP-0480276-A2 Carbonylaminostyrene derivatives as recording material BAYER AG (DE) 1992-04-15 EP disclosed