SCHEMBL6159903

SCHEMBL6159903

O=C=NC(=O)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.55
FFAR1 O14842 4/20 0.52
ALDH1A1 P00352 2/20 0.52
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL6160325 0.89 HDAC1 (0.58) KEAP1FFAR1HDAC2HDAC8HDAC6
SCHEMBL6161301 0.87 MAPT (0.58) HDAC2HDAC8HDAC6TDP1HDAC1
SCHEMBL3567707 0.83 KEAP1 (0.53) KEAP1FFAR1ALDH1A1HDAC2HDAC8
SCHEMBL1357419 0.80 CES1 (0.52) FFAR1ALDH1A1HDAC8HDAC6KMT2A
SCHEMBL16519727 0.78 KEAP1 (0.61) KEAP1FFAR1ALDH1A1HDAC2HDAC8
SCHEMBL16562278 0.78 F2RL1 (0.58) FFAR1ALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL5429609 0.77 KEAP1 (0.55) KEAP1FFAR1ALDH1A1HDAC2HDAC8
SCHEMBL16908259 0.76 KEAP1 (0.59) KEAP1FFAR1ALDH1A1HDAC2HDAC8
SCHEMBL2487165 0.76 ALDH1A1 (0.61) KEAP1FFAR1ALDH1A1HDAC2HDAC8
SCHEMBL1563454 0.74 KEAP1 (0.61) KEAP1FFAR1ALDH1A1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 US disclosed
EP-0893442-A1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed
US-4992464-A Bronchodilator, antiinflammatory, antiarthritic, antiallergenic agents ABBOTT LABORATORIES (US) 1991-02-12 US disclosed