SCHEMBL9826549

SCHEMBL9826549

CCCCS(=O)(=O)c1nc(NC(C)=O)c(C#N)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.34
MAPK9 P45984 1/20 0.34
DYRK1A Q13627 1/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
FPR1 P21462 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
POLB P06746 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
SCHEMBL9827223 0.81 KMT2A (0.36) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL9826777 0.77
SCHEMBL9827086 0.76 ALDH1A1 (0.39) TP53HSD17B10ALDH1A1HPGDMEN1
SCHEMBL9827563 0.76 KDM4E (0.38) TP53HSD17B10ALDH1A1HPGDMEN1
SCHEMBL10569137 0.74 CCR4 (0.34) TP53HPGDSMN1; SMN2POLBKDM4E
SCHEMBL9827090 0.73 MAPK8 (0.46) MAPK8MAPK9HSD17B10ALDH1A1HPGD
SCHEMBL9825848 0.72 MAPK8 (0.34) MAPK8MAPK9DYRK1AHSD17B10ALDH1A1
SCHEMBL9826175 0.71 KDM4E (0.34) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL10569925 0.70 ALPL (0.41) MAPK8ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11380563 0.68 TP53 (0.32) TP53HPGDSMN1; SMN2POLBKDM4E

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
EP-0301613-B1 THIAZOLE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1991-07-10 EP disclosed
US-4889863-A NONPHYTOTOXIC; SEEDS, SOILS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1989-12-26 US disclosed
EP-0301613-A1 Thiazole compounds having fungicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1989-02-01 EP disclosed