SCHEMBL9851110

SCHEMBL9851110

Cc1cccc(C(C#N)=COS(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PARP1 P09874 1/20 0.40
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
P2RY2 P41231 1/20 0.37
GPR17 Q13304 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KAT6A Q92794 1/20 0.36
POLB P06746 1/20 0.36
KCNK3 O14649 2/20 0.36

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
SCHEMBL9851106 1.00 MEN1 (0.42) MEN1HPGDKMT2AALDH1A1CYP1A2
SCHEMBL9514535 0.83 SMN1; SMN2 (0.43) MEN1HPGDKMT2AALDH1A1CYP1A2
SCHEMBL9514545 0.83 SMN1; SMN2 (0.43) MEN1HPGDKMT2AALDH1A1CYP1A2
SCHEMBL9851108 0.81 CYP1A2 (0.41) MEN1HPGDKMT2AALDH1A1CYP1A2
SCHEMBL10177338 0.77 ALDH1A1 (0.49) MEN1HPGDKMT2AALDH1A1CYP1A2
SCHEMBL21872274 0.76 ALDH1A1 (0.48) MEN1HPGDKMT2AALDH1A1CYP1A2
SCHEMBL7978911 0.76 HPGD (0.36) HPGD
SCHEMBL9851101 0.75 MAPT (0.33) MEN1HPGDKMT2AALDH1A1KDM4E
SCHEMBL9851100 0.75 MAPT (0.33) MEN1HPGDKMT2AALDH1A1KDM4E
SCHEMBL9851102 0.74 NPSR1 (0.42) MEN1HPGDKMT2AALDH1A1CYP1A2

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-0439421-A1 Microbicidal agents CIBA-GEIGY AG (CH) 1991-07-31 EP claimed
EP-0439421-A1 Microbicidal agents CIBA-GEIGY AG (CH) 1991-07-31 EP disclosed