SCHEMBL18569062

SCHEMBL18569062

CC(C)C(=O)Nc1cnc(-c2ccc(Cl)nc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.41
CSNK2A1 P68400 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
POLB P06746 2/20 0.39
MYC P01106 1/20 0.39
WDR5 P61964 1/20 0.39
KCNQ3 O43525 3/20 0.39
KCNQ2 O43526 3/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 2/20 0.37
GPR142 Q7Z601 1/20 0.36
LIMK1 P53667 1/20 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
SCHEMBL289439 0.77 PIK3CD (0.41) CSNK2A2CSNK2A1MEN1KMT2APOLB
SCHEMBL9764596 0.75 ALDH1A1 (0.57) MEN1KMT2AKCNQ3KCNQ2NPC1
SCHEMBL18568982 0.75 CSNK2A2 (0.36) CSNK2A2CSNK2A1MEN1KMT2APOLB
SCHEMBL13047603 0.73 SMN1; SMN2 (0.38) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL17590227 0.70 SMN1; SMN2 (0.43) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL21401470 0.69 CCNE1 (0.53) MEN1KMT2AL3MBTL1CCNE1CDK2
SCHEMBL17589831 0.69 NPC1 (0.44) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL17286580 0.68 ALDH1A1 (0.56) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL27417480 0.66 NAPRT (0.50) MEN1KMT2AL3MBTL1POLBKCNQ3
SCHEMBL23833544 0.65 HPGDS (0.54) KMT2ANPC1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614826-B1 Process for preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2017-03-01 EP disclosed