SCHEMBL9215417

SCHEMBL9215417

COC=C(C(=O)OC)c1csc2ccc(CON=C(c3ccccc3)C3CC3)cc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
FFAR1 O14842 3/20 0.32
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL9275150 0.93 MEN1 (0.37) MEN1KMT2AL3MBTL1MTNR1AMTNR1B
SCHEMBL9215312 0.92 MAPT (0.34) MEN1KMT2AL3MBTL1MTNR1AMTNR1B
SCHEMBL9212152 0.89 PPARG (0.34) MEN1KMT2AS1PR1S1PR3
SCHEMBL9219849 0.88 MTNR1A (0.35) MTNR1AMTNR1B
SCHEMBL9211525 0.86 NPC1 (0.36) MEN1KMT2AL3MBTL1MTNR1AMTNR1B
SCHEMBL9212889 0.84 FFAR1 (0.36) KMT2AFFAR1S1PR1
SCHEMBL9219323 0.83 PPARG (0.36) MEN1KMT2AS1PR1S1PR3
SCHEMBL9220136 0.82 NPC1 (0.35) MEN1KMT2AL3MBTL1MTNR1AMTNR1B
SCHEMBL9216433 0.81 MTNR1A (0.33) MTNR1AMTNR1BFFAR1
SCHEMBL9221643 0.80 MTNR1A (0.36) MTNR1AMTNR1BS1PR1S1PR3

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