SCHEMBL9645288

SCHEMBL9645288

COC(=O)CN1C(=O)CC=CN1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CTSG P08311 2/20 0.40
CMA1 P23946 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL9645416 0.75 MEN1 (0.40) GAAALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL9645280 0.71 HTT (0.44) GAAALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL9645868 0.70 APP (0.40) ALDH1A1CTSGTSHRLMNA
SCHEMBL9645476 0.70 LMNA (0.39) GAAALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL9645259 0.67 NPC1 (0.45) GAAALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL10784216 0.66 KMT2A (0.75) GAAALDH1A1L3MBTL1SMN1; SMN2CYP1A2
SCHEMBL7301415 0.65 MEN1 (0.37) GAAALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL16291450 0.63 MEN1 (0.41) GAAALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL7871541 0.62 ALDH1A1 (0.34) GAAALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL11553488 0.61 LMNA (0.71) ALDH1A1SMN1; SMN2KDM4ECYP2C19TSHR

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-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US disclosed
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP disclosed