SCHEMBL9634784

SCHEMBL9634784

Cc1csc(C(C=O)=C(Cl)c2ccc(F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 1/20 0.41
CTNNB1 P35222 1/20 0.41
DAO P14920 1/20 0.40
NQO2 P16083 1/20 0.35
KDR P35968 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.31
KCNMA1 Q12791 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
BCL2L1 Q07817 1/20 0.31
BAD Q92934 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL8094069 0.81 DAO (0.38) DAOKDRSMN1; SMN2CYP1A2CYP2C19
SCHEMBL7087792 0.74 CES2 (0.53) DAOSMN1; SMN2CYP1A2CYP2C19KCNMA1
SCHEMBL7627953 0.69 TCF4 (0.51) TCF4CTNNB1NQO2MEN1KMT2A
SCHEMBL7620156 0.69 TCF4 (0.51) TCF4CTNNB1NQO2MEN1KMT2A
SCHEMBL7620158 0.69 TCF4 (0.51) TCF4CTNNB1NQO2MEN1KMT2A
SCHEMBL8093355 0.69 CYP1A2 (0.42) DAOSMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL7625379 0.68 PTGS2 (0.54) TCF4CTNNB1PTGS2
SCHEMBL7625386 0.68 PTGS2 (0.54) TCF4CTNNB1PTGS2
SCHEMBL28228751 0.68 CES2 (0.41) TCF4CTNNB1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL6643910 0.66 DAO (0.47) DAOSMN1; SMN2CYP2C19KDM4EKMT2A

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
US-5082974-A 3-HALOGENO-2,3-DIPHENYLACRYLALDEHYDE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND A PHARMACEUTICAL COMPOSITION FOR TREATING HYPERLIPIDEMI OTSUKA PHARACEUTICAL FACTORY, INC. (JP) 1992-01-21 US disclosed
EP-0424541-A1 3-HALOGENO-2,3-DIPHENYLACRYLALDEHYDE DERIVATIVE, METHOD OF PRODUCTION THEREOF AND CURING AGENT FOR HYPERLIPIDEMIA OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1991-05-02 EP disclosed