SCHEMBL8551869

SCHEMBL8551869

C=CCNc1nc(CC)c(C(=O)O)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.49
CDK2 P24941 10/20 0.49
CCNE1 P24864 1/20 0.49
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 5/20 0.41
GAA P10253 4/20 0.41
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
HTT P42858 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GLA P06280 2/20 0.39
ALOX15 P16050 1/20 0.39
LIMK1 P53667 1/20 0.39
PIK3CG P48736 1/20 0.38
LMNA P02545 1/20 0.36
KMT2A Q03164 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
SCHEMBL8552123 0.83 CCNA2 (0.48) CCNA2CDK2MAPTRAB9ASMN1; SMN2
SCHEMBL8554415 0.78 GFER (0.42) CCNA2CDK2RAB9ASMN1; SMN2NPC1
SCHEMBL7144220 0.72 MEN1 (0.40) CCNA2CDK2MAPTRAB9ASMN1; SMN2
SCHEMBL7691178 0.69 LCK (0.47) ALDH1A1KMT2A
SCHEMBL9642917 0.69 RAB9A (0.40) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL9368491 0.69 L3MBTL1 (0.42) RAB9ASMN1; SMN2NPC1KDM4EGAA
SCHEMBL1444863 0.69 GPR35 (0.38) RAB9ASMN1; SMN2NPC1TP53KDM4E
Hydrochloric Acid SCHEMBL9528440 0.67 RAB9A (0.39) RAB9ASMN1; SMN2NPC1KDM4EGAA
SCHEMBL1539908 0.67 ALDH1A1 (0.45) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL9643750 0.67 ALDH1A1 (0.36) RAB9ASMN1; SMN2NPC1KDM4EGAA

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-0639574-B1 2-aminothiazolecarboxamide derivatives, processes for their preparation and their use for controlling phytopathogenic organisms LUCKY LTD (KR) 1998-06-10 EP disclosed
US-5514643-A FUNGICIDES FOR PLANTS LUCKY LTD. (KR) 1996-05-07 US disclosed
EP-0639574-A1 2-aminothiazolecarboxamide derivatives, processes for their preparation and their use for controlling phytopathogenic organisms LUCKY LTD. (KR) 1995-02-22 EP disclosed