SCHEMBL9215653

SCHEMBL9215653

COC=C(C(=O)OC)c1csc2ccc(COc3ccccc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.47
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9313258 0.92 FFAR1 (0.48) FFAR1MEN1KMT2ASMN1; SMN2
SCHEMBL9209687 0.82 TBXAS1 (0.36) MEN1KMT2ASMN1; SMN2
SCHEMBL9212889 0.80 FFAR1 (0.36) FFAR1KMT2ASMN1; SMN2
SCHEMBL23712783 0.80 LMNA (0.44) FFAR1MEN1KMT2ASMN1; SMN2
SCHEMBL23987343 0.80 NR4A2 (0.40) MEN1KMT2A
SCHEMBL9312295 0.80 TBXAS1 (0.34) MEN1KMT2A
SCHEMBL9209788 0.80 NPC1 (0.47) KMT2ASMN1; SMN2
SCHEMBL9219061 0.79 MAPT (0.43) SMN1; SMN2
SCHEMBL9215417 0.79 MEN1 (0.36) FFAR1MEN1KMT2A
SCHEMBL9215423 0.79 PTK2 (0.36) MEN1KMT2A

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
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