SCHEMBL9213982

SCHEMBL9213982

COC=C(C(=O)OC)c1csc2ccc(CN(C)C(C)c3ccccc3)cc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.36
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
MAPK14 Q16539 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.32
FFAR2 O15552 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TBXAS1 P24557 1/20 0.32
ADAM17 P78536 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL9213989 0.93 GCGR (0.37) GCGRMEN1KMT2AMAPK14LMNA
SCHEMBL9215196 0.93 GCGR (0.35) GCGRMEN1KMT2AMAPK14TSHR
SCHEMBL9215200 0.85 GCGR (0.38) GCGRMEN1KMT2AMAPK14LMNA
SCHEMBL9209687 0.80 TBXAS1 (0.36) MEN1KMT2AMAPTFFAR2TBXAS1
SCHEMBL9215653 0.79 FFAR1 (0.47) MEN1KMT2A
SCHEMBL23987343 0.76 NR4A2 (0.40) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL9312295 0.75 TBXAS1 (0.34) MEN1KMT2AMAPTTBXAS1KDM4E
SCHEMBL9215423 0.74 PTK2 (0.36) MEN1KMT2AMAPTTBXAS1KDM4E
SCHEMBL9218225 0.74 ALDH1A1 (0.37) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL9220655 0.73 MAPT (0.41) MEN1KMT2APOLBMAPTALDH1A1

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