SCHEMBL4635593

SCHEMBL4635593

CC(O)c1cccc(CC(C)(C)C(N)=O)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
PLA2G10 O15496 1/20 0.34
PLA2G2A P14555 1/20 0.34
IRAK4 Q9NWZ3 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADORA2A P29274 1/20 0.32
ADRB1 P08588 1/20 0.31
CNR2 P34972 1/20 0.31
P2RX7 Q99572 1/20 0.31
HSD11B1 P28845 3/20 0.31
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL27714081 0.78 NPSR1 (0.40) KMT2AMEN1OPRM1OPRD1MAPT
SCHEMBL27827809 0.76 ALDH1A1 (0.41) KMT2AMEN1OPRM1OPRD1MAPT
SCHEMBL29289914 0.75 IRAK4 (0.37) IRAK4HSD11B1HRH4
Hydrochloric Acid SCHEMBL29289750 0.74 IRAK4 (0.36) IRAK4HSD11B1HRH4
SCHEMBL27270503 0.73 PARP1 (0.37) IRAK4NPSR1HSD11B1HRH4
SCHEMBL20416692 0.73 CCR1 (0.39) IRAK4NPSR1HSD11B1
SCHEMBL9298348 0.70 PIM1 (0.42) IRAK4CNR2P2RX7HSD11B1
SCHEMBL29860803 0.70 PGK1 (0.41) KMT2AMEN1CYP1A2IRAK4ADRB1
SCHEMBL4273303 0.70 PGK1 (0.41) KMT2AMEN1CYP1A2IRAK4ADRB1
SCHEMBL5515958 0.70 ADRB1 (0.34) IRAK4ADRB1

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-1893609-A1 N-(PYRIDIN-2-YL)-SULFONAMIDE DERIVATIVES Pfizer, Inc. (US) 2008-03-05 EP disclosed
WO-2006134467-A1 N-(PYRIDIN-2-YL)-SULFONAMIDE DERIVATIVES PFIZER INC. (US) 2006-12-21 WO disclosed