SCHEMBL10044951

SCHEMBL10044951

COc1cc(C)c2oc(C(=O)N(C)C)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.41
SLC22A12 Q96S37 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.38
PIM1 P11309 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL931094 0.85 MAOB (0.45) OXTRSLC22A12SMN1; SMN2NPC1ALDH1A1
SCHEMBL15200325 0.83 PIM1 (0.54) SMN1; SMN2NPC1ALDH1A1RAB9ALMNA
SCHEMBL21230516 0.82 HPGD (0.47) SLC22A12SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL15180077 0.82 CA1 (0.41) OXTRSLC22A12SMN1; SMN2NPC1ALDH1A1
SCHEMBL15200323 0.78 HPGD (0.51) SLC22A12NPC1ALDH1A1RAB9ALMNA
SCHEMBL15200324 0.70 SLC22A12 (0.43) SLC22A12NPC1ALDH1A1RAB9AKDM4E
SCHEMBL21230547 0.69 MAPT (0.56) SMN1; SMN2NPC1ALDH1A1RAB9ALMNA
SCHEMBL22960809 0.68 LMNA (0.63) SMN1; SMN2NPC1ALDH1A1RAB9ALMNA
SCHEMBL15349800 0.68 LMNA (0.55) SLC22A12SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL4130113 0.68 LMNA (0.51) SLC22A12SMN1; SMN2NPC1ALDH1A1RAB9A

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
WO-2012052420-A1 METHOD FOR PREPARING SUBSTITUTED N-(3-AMINO-QUINOXALIN-2-YL)-SULFONAMIDES AND THEIR INTERMEDIATES N-(3-CHLORO-QUINOXALIN-2-YL)SULFONAMIDES MERCK SERONO S.A. GENEVA (CH) 2012-04-26 WO disclosed