SCHEMBL9825848

SCHEMBL9825848

CCCC[S+]([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
HSD17B10 Q99714 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
POLB P06746 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9826163 0.80 DYRK1A (0.35) MAPK8MAPK9ALDH1A1MEN1KMT2A
SCHEMBL9826193 0.77
SCHEMBL9826555 0.75 KDM4E (0.33) HSD17B10KDM4E
SCHEMBL9826788 0.75 SMN1; SMN2 (0.37) ALDH1A1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL9827090 0.72 MAPK8 (0.46) MAPK8MAPK9HSD17B10ALDH1A1MAPT
SCHEMBL9826549 0.72 MAPK8 (0.34) MAPK8MAPK9HSD17B10ALDH1A1KDM4E
SCHEMBL9826495 0.70 KDM4E (0.33) HSD17B10KDM4EMEN1TSHRKMT2A
SCHEMBL10569925 0.69 ALPL (0.41) MAPK8ALDH1A1KDM4EMAPTMEN1
SCHEMBL11383712 0.67
SCHEMBL9827129 0.66 DYRK1A (0.36) MAPK8MAPK9HSD17B10ALDH1A1KDM4E

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