SCHEMBL4976602

SCHEMBL4976602

Cc1ccc(C(N)=O)c(CCO)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.39
PARP1 P09874 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SIRT1 Q96EB6 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
CSNK2A1 P68400 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
GRM2 Q14416 1/20 0.35
BTK Q06187 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
MAPK10 P53779 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NNMT P40261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL22067721 0.86 MAPK8 (0.39) MAPK8PARP1TAAR1RAB9ANPC1
SCHEMBL21356997 0.86 TAAR1 (0.56) MAPK8PARP1TAAR1MEN1KMT2A
SCHEMBL4638489 0.85 PARP1 (0.46) MAPK8PARP1TAAR1RAB9ANPC1
SCHEMBL6022904 0.84 TAAR1 (0.42) MAPK8PARP1TAAR1RAB9ANPC1
SCHEMBL29140046 0.84 CSNK2A1 (0.48) CSNK2A1HDAC7MEN1KMT2ASMN1; SMN2
SCHEMBL4604668 0.83 PARP1 (0.42) MAPK8PARP1TAAR1RAB9ANPC1
Hydrochloric Acid SCHEMBL5614036 0.81 PARP1 (0.41) MAPK8PARP1TAAR1RAB9ANPC1
SCHEMBL9838573 0.81 HSP90AB1 (0.43) TAAR1RAB9ANPC1CSNK2A1HDAC7
SCHEMBL15676699 0.80 RAB9A (0.48) RAB9ANPC1KMT2ASMN1; SMN2KDM4E
SCHEMBL28431089 0.80 MAPT (0.40) SIRT1MEN1KMT2AHPGDKDM4E

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