SCHEMBL9213989

SCHEMBL9213989

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.37
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
MAPK14 Q16539 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.33
FFAR2 O15552 1/20 0.33
TBXAS1 P24557 1/20 0.33
ADAM17 P78536 2/20 0.32
KDM4E B2RXH2 1/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 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
SCHEMBL9213982 0.93 GCGR (0.36) GCGRMEN1KMT2AMAPK14LMNA
SCHEMBL9215200 0.91 GCGR (0.38) GCGRMEN1KMT2AMAPK14LMNA
SCHEMBL9215196 0.86 GCGR (0.35) GCGRMEN1KMT2AMAPK14TSHR
SCHEMBL9312641 0.79 TBXAS1 (0.37) MEN1KMT2AMAPTFFAR2TBXAS1
SCHEMBL9313258 0.78 FFAR1 (0.48) MEN1KMT2A
SCHEMBL9314703 0.74 TBXAS1 (0.35) MEN1KMT2APOLBMAPTTBXAS1
SCHEMBL9218481 0.73 PTK2 (0.38) MEN1KMT2AMAPTTBXAS1KDM4E
SCHEMBL9313234 0.73 ALDH1A1 (0.38) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL9312321 0.72 MAPT (0.42) LMNAPOLBMAPTALDH1A1
SCHEMBL9220938 0.71 MTNR1A (0.49) MEN1KMT2AMAPTKDM4E

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 2 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 disclosed