SCHEMBL2420697

SCHEMBL2420697

CC(C)CC(=O)c1nnc(-c2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.43
NR1H4 Q96RI1 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
ALDH1A1 P00352 3/20 0.41
FAAH O00519 1/20 0.41
CES1 P23141 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2427077 0.80 HDAC6 (0.46) HDAC6SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2424150 0.79 ALDH1A1 (0.49) TRPM8HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL20486119 0.79 NPC1 (0.54) HDAC6SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL27768576 0.77 NPC1 (0.51) HDAC6SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL8840161 0.77 NPC1 (0.51) HDAC6SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL20486565 0.75 ALDH1A1 (0.45) TRPM8HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL2428586 0.74 ALDH1A1 (0.44) TRPM8NR1H4HDAC6SMN1; SMN2NPC1
SCHEMBL191761 0.74 NPC1 (0.49) HDAC6SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL11233145 0.74 NPC1 (0.49) HDAC6SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2423066 0.73 NPC1 (0.49) TRPM8HDAC6SMN1; SMN2NPC1RAB9A

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