SCHEMBL13616510

SCHEMBL13616510

CC(C)NC(=O)c1cnc(C(=O)O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.53
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
ALOX15 P16050 1/20 0.39
XDH P47989 2/20 0.38
GRM5 P41594 2/20 0.37
ALPL P05186 2/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
HASPIN Q8TF76 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MMP2 P08253 1/20 0.35
CNR1 P21554 1/20 0.35
KDM5A P29375 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
JAK3 P52333 2/20 0.35
HCAR3 P49019 1/20 0.35

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
SCHEMBL1079026 0.80 SMN1; SMN2 (0.52) MMESMN1; SMN2
SCHEMBL1078710 0.78 MMP2 (0.42) MMEADORA3ADORA2AADORA2BADORA1
SCHEMBL8306045 0.76 PIN1 (0.52) MMEALOX15SMN1; SMN2MMP2
SCHEMBL1078750 0.75 ADORA3 (0.39) MMEADORA3ADORA2AADORA2BADORA1
SCHEMBL24019838 0.72 ALOX15 (0.41) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL10869963 0.71 PIN1 (0.39) MMEADORA3ALOX15CCNCCDK8
SCHEMBL23849223 0.70 MMP2 (0.44) MMP2
SCHEMBL30889539 0.69 HCAR3 (0.43) MMEKDM5AHCAR3
SCHEMBL22901899 0.67 SMN1; SMN2 (0.53) ADORA3ADORA2AADORA2BADORA1XDH
SCHEMBL2890259 0.66

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
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 WO disclosed