SCHEMBL8807789

SCHEMBL8807789

CCCc1ccc2s[nH]c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
DDAH1 O94760 1/20 0.46
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
MAOA P21397 1/20 0.44
POLB P06746 1/20 0.41
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
GPR84 Q9NQS5 2/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MGLL Q99685 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34

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
SCHEMBL6231819 0.90 MAPT (0.43) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL28407033 0.86 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL3868022 0.73 MAPT (0.53) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL92265 0.72 ALDH1A1 (0.56) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL8800708 0.72 PARP15 (0.49) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL4722581 0.69 MAPT (0.53) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL18074682 0.69 LMNA (0.53) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL79949 0.69 LMNA (0.53) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL29881669 0.69 ALDH1A1 (0.72) ALDH1A1LMNAMAPTKDM4EDDAH1
SCHEMBL5498592 0.69 ALDH1A1 (0.72) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755392-A4 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1997-05-02 EP claimed
EP-0755392-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1997-01-29 EP claimed
WO-1995028397-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-10-26 WO claimed
EP-0755392-A4 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1997-05-02 EP disclosed
EP-0755392-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1997-01-29 EP disclosed
WO-1995028397-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-10-26 WO disclosed