SCHEMBL9215312

SCHEMBL9215312

COC=C(C(=O)OC)c1csc2ccc(CON=C(c3ccc(Cl)cc3)C3CC3)cc12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FFAR2 O15552 1/20 0.33
C5AR1 P21730 5/20 0.32
KLKB1 P03952 3/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GCGR P47871 1/20 0.30
ATM Q13315 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
SCHEMBL9211525 0.93 NPC1 (0.36) MAPTNPC1RAB9AFFAR2C5AR1
SCHEMBL9215417 0.92 MEN1 (0.36) NPC1RAB9AMTNR1AMTNR1BMEN1
SCHEMBL9219849 0.86 MTNR1A (0.35) MAPTMTNR1AMTNR1B
SCHEMBL9275150 0.85 MEN1 (0.37) MTNR1AMTNR1BMEN1KMT2AL3MBTL1
SCHEMBL9212152 0.84 PPARG (0.34) MAPTMEN1KMT2A
SCHEMBL9221643 0.79 MTNR1A (0.36) MAPTKLKB1MTNR1AMTNR1B
SCHEMBL9216433 0.78 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL9219323 0.77 PPARG (0.36) MEN1KMT2A
SCHEMBL9220136 0.77 NPC1 (0.35) MAPTNPC1RAB9AMTNR1AMTNR1B
SCHEMBL9212889 0.76 FFAR1 (0.36) MAPTKMT2A

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