SCHEMBL9182774

SCHEMBL9182774

CC(=NOCC#N)c1cc[c]cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
PTBP1 P26599 1/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX5 P09917 4/20 0.41
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
MAPT P10636 4/20 0.33

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
SCHEMBL9182772 1.00 L3MBTL1 (0.44) L3MBTL1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL9411054 1.00 L3MBTL1 (0.44) L3MBTL1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL11407417 0.81 NPC1 (0.47) L3MBTL1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL5958327 0.80 LMNA (0.48) L3MBTL1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL5958328 0.80 LMNA (0.48) L3MBTL1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL6348030 0.75 LMNA (0.45) L3MBTL1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL5197529 0.75 SMN1; SMN2 (0.50) L3MBTL1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL5197523 0.75 SMN1; SMN2 (0.50) L3MBTL1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL6348031 0.75 LMNA (0.45) L3MBTL1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL3389005 0.74 LMNA (0.39) L3MBTL1LMNAMAPK1HTTSMN1; SMN2

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
US-5420298-A Antiinflammatory agents by inhibition of leukotrienes ZENECA LIMITED (GB) 1995-05-30 US claimed
EP-0586229-A1 3-Hydroxy-3-(subst-akyl)-pyrrolidines as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-03-09 EP claimed
US-5420298-A Antiinflammatory agents by inhibition of leukotrienes ZENECA LIMITED (GB) 1995-05-30 US disclosed
EP-0586229-A1 3-Hydroxy-3-(subst-akyl)-pyrrolidines as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-03-09 EP disclosed