SCHEMBL8596062

SCHEMBL8596062

Nc1cccc2s[nH]c(=O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ DDAH1 O94760 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ CACNA1B Q00975 1/20 0.48
▸ APBA1 Q02410 1/20 0.48
▸ JAK2 O60674 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.43
▸ MELK Q14680 1/20 0.43
▸ STK24 Q9Y6E0 1/20 0.43
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ TYMS P04818 2/20 0.37
▸ PARP1 P09874 7/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL11213296 0.76 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL725796 0.76 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL1710671 0.76 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL2970289 0.76 MAPT (0.48) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL3885088 0.74 ALDH1A1 (0.43) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL10587136 0.73 MAPT (0.46) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL10980881 0.72 PARP1 (0.49) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL8573683 0.72 LIMK1 (0.50) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL10843641 0.72 MAOA (0.54) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL30701590 0.72 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EDDAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998023690-A9 METHOD FOR PREPARING LIGHT-ABSORBING POLYMERIC COMPOSITIONS — 1998-09-17 — — WO claimed
WO-1998023690-A9 METHOD FOR PREPARING LIGHT-ABSORBING POLYMERIC COMPOSITIONS — 1998-09-17 — — WO disclosed
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