SCHEMBL9214359

SCHEMBL9214359

COC=C(C(=O)OC)c1c(C=O)sc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
MAPK1 P28482 3/20 0.46
TDP1 Q9NUW8 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ATM Q13315 2/20 0.40
CNR2 P34972 6/20 0.39
KDM4E B2RXH2 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
NPC1 O15118 2/20 0.38
CNR1 P21554 3/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL9220169 0.88 LMNA (0.43) LMNAMAPK1TDP1L3MBTL1ATM
SCHEMBL9212799 0.84 LMNA (0.48) LMNAMAPK1TDP1L3MBTL1ATM
SCHEMBL9219336 0.80 MAPK1 (0.44) LMNAMAPK1TDP1L3MBTL1ATM
SCHEMBL9211088 0.77 MAPK1 (0.41) LMNAMAPK1TDP1L3MBTL1ATM
SCHEMBL9211091 0.77 MAPK1 (0.41) LMNAMAPK1TDP1L3MBTL1ATM
SCHEMBL9380510 0.72 LMNA (0.44) LMNAMAPK1TDP1L3MBTL1ATM
SCHEMBL9033191 0.72 LMNA (0.44) LMNAMAPK1TDP1L3MBTL1ATM
SCHEMBL9216484 0.71 LMNA (0.46) LMNAMAPK1TDP1L3MBTL1ATM
SCHEMBL8323182 0.70 TUBB4A (0.48) LMNAMAPK1TDP1L3MBTL1ATM
SCHEMBL27559507 0.69 LMNA (0.47) LMNAMAPK1TDP1L3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433233-B1 Heterocyclic compounds CIBA GEIGY AG (CH) 1995-01-25 EP claimed
EP-0433233-A1 Heterocyclic compounds CIBA-GEIGY AG (CH) 1991-06-19 EP claimed
EP-0433233-B1 Heterocyclic compounds CIBA GEIGY AG (CH) 1995-01-25 EP disclosed
US-5376677-A Fungicides CIBA-GEIGY CORPORATION (US) 1994-12-27 US disclosed
EP-0433233-A1 Heterocyclic compounds CIBA-GEIGY AG (CH) 1991-06-19 EP disclosed