SCHEMBL4979889

SCHEMBL4979889

Cc1ccc(C(N)=O)c(CC(O)CO)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.36
SCN9A Q15858 5/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP1 P09874 1/20 0.35
NNMT P40261 1/20 0.34
SYK P43405 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
MAPK10 P53779 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BTK Q06187 1/20 0.32
SRC P12931 1/20 0.32
GRM2 Q14416 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
TAAR1 Q96RJ0 1/20 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
Hydrochloric Acid SCHEMBL29090068 0.84 MAPK8 (0.38) MAPK8POLBL3MBTL1PARP1NNMT
SCHEMBL29032297 0.84 POLB (0.41) MAPK8POLBL3MBTL1PARP1NNMT
SCHEMBL29976932 0.83 SCN9A (0.38) SCN9APOLBL3MBTL1CYP3A4MEN1
SCHEMBL9780998 0.83 SCN9A (0.44) SCN9APARP1CYP3A4MEN1KMT2A
SCHEMBL5803208 0.82 POLB (0.49) MAPK8POLBL3MBTL1PARP1NNMT
SCHEMBL4638489 0.80 PARP1 (0.46) MAPK8PARP1NNMTNPC1RAB9A
SCHEMBL4604668 0.78 PARP1 (0.42) MAPK8PARP1NNMTNPC1RAB9A
SCHEMBL28094287 0.77 SCN9A (0.48) SCN9APOLBSMN1; SMN2
SCHEMBL5147480 0.77 ALOX15 (0.42) L3MBTL1NPC1RAB9ACYP3A4SMN1; SMN2
SCHEMBL29773094 0.77 SCN9A (0.44) SCN9APARP1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987022-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES Pfizer Products Inc. (US) 2008-11-05 EP claimed
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 WO claimed