SCHEMBL2428586

SCHEMBL2428586

CC(CO)OC(=O)c1nnc(-c2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 9/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CSNK2A2 P19784 2/20 0.41
CSNK2A1 P68400 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MME P08473 1/20 0.39
GAA P10253 1/20 0.39
CDC7 O00311 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL2426380 0.78 TRPM8 (0.55) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2179717 0.77 TRPM8 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2427077 0.75 HDAC6 (0.46) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2423902 0.75 LMNA (0.51) ALDH1A1POLBCSNK2A2CSNK2A1KMT2A
SCHEMBL2420697 0.74 TRPM8 (0.43) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2427248 0.74 GRM6 (0.47) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2423277 0.74 HDAC6 (0.46) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL20486119 0.74 NPC1 (0.54) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL8840161 0.72 NPC1 (0.51) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL27768576 0.72 NPC1 (0.51) ALDH1A1POLBNPC1RAB9ASMN1; SMN2

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