SCHEMBL2425586

SCHEMBL2425586

CC(C)Cc1nccn1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
FDPS P14324 2/20 0.35
FPR2 P25090 1/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
LMNA P02545 3/20 0.33
CYP2C9 P11712 2/20 0.33
AKR1C3 P42330 2/20 0.33
CXCR1 P25024 2/20 0.33
CXCR2 P25025 2/20 0.33
ALB P02768 1/20 0.33
ESR1 P03372 1/20 0.33
ALOX5 P09917 1/20 0.33
RARB P10826 1/20 0.33
ADRB3 P13945 1/20 0.33
NFKB1 P19838 1/20 0.33
HTR2A P28223 1/20 0.33
NR1I3 Q14994 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
CXCL8 P10145 1/20 0.33

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
SCHEMBL29269238 0.83 CHRNB2 (0.37) SMN1; SMN2FDPSFPR2LMNAMEN1
SCHEMBL5133385 0.83 PDE4A (0.40) SMN1; SMN2FDPSFPR2LMNATLR7
SCHEMBL1353073 0.79 ALPG (0.41) FDPSLMNATSHRMEN1KMT2A
SCHEMBL28701458 0.79 FDPS (0.39) SMN1; SMN2FDPSESR1MEN1KMT2A
Ethane SCHEMBL27625282 0.78 ALPG (0.40) FDPSLMNATSHRMEN1KMT2A
SCHEMBL16577159 0.76 FPR2 (0.48) SMN1; SMN2FPR2ESR1
SCHEMBL9373441 0.76 FDPS (0.34) SMN1; SMN2FDPSFPR2MEN1KMT2A
SCHEMBL2427242 0.75 FDPS (0.43) SMN1; SMN2FDPSFPR2LMNAMEN1
SCHEMBL9374488 0.74 SMN1; SMN2 (0.33) SMN1; SMN2FDPSFPR2MEN1KMT2A
SCHEMBL1978411 0.74 AGTR1 (0.44) LMNANFKB1TSHRBLMPMP22

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
EP-1605752-B1 Sulfonamides for the treatment of congestive heart failure, their compositions and uses. CYTOKINETICS INC (US) 2011-09-14 EP disclosed