SCHEMBL9866040

SCHEMBL9866040

CCSc1sc(C=O)c(N)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.37
ALDH1A1 P00352 11/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 2/20 0.32
MAPK1 P28482 2/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 2/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9865868 0.82 ALDH1A1 (0.36) GRIA4ALDH1A1KDM4ENPSR1GAA
SCHEMBL9864663 0.77 GRIA4 (0.37) GRIA4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9865456 0.70 L3MBTL1 (0.55) GRIA4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9865192 0.67 MEN1 (0.76) GRIA4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9865743 0.67
SCHEMBL9864961 0.66 ALDH1A1 (0.69) GRIA4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9865714 0.65 ALDH1A1 (0.47) GRIA4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9865043 0.64 ALDH1A1 (0.40) ALDH1A1
SCHEMBL9864884 0.64 GRIA4 (0.40) GRIA4ALDH1A1MEN1KMT2AHPGD
SCHEMBL9864520 0.64 GRIA4 (0.37) GRIA4ALDH1A1MEN1KMT2AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994485-A Seed and soil fungi, bacteria DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1991-02-19 US disclosed
EP-0234622-B1 NEW THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-06-27 EP disclosed
EP-0234622-A1 New thio compounds having fungicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1987-09-02 EP disclosed