SCHEMBL28706195

SCHEMBL28706195

Cc1cccc(-c2noc(C(C)OC(N)=O)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 4/20 0.49
RAB9A P51151 4/20 0.48
TSHR P16473 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 5/20 0.47
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL28710586 1.00 KCNT1 (0.49) KCNT1RAB9ATSHRNPC1SMN1; SMN2
SCHEMBL28706194 1.00 KCNT1 (0.49) KCNT1RAB9ATSHRNPC1SMN1; SMN2
SCHEMBL28710978 0.88 MLLT1 (0.44) TSHRMAPK1L3MBTL1
SCHEMBL28710950 0.87 NPC1 (0.46) RAB9ATSHRNPC1SMN1; SMN2MAPT
SCHEMBL28713210 0.86 S1PR3 (0.52) RAB9ANPC1SMN1; SMN2HSD17B10TP53
SCHEMBL28713211 0.86 S1PR3 (0.52) RAB9ANPC1SMN1; SMN2HSD17B10TP53
SCHEMBL28710588 0.85 S1PR1 (0.47) KCNT1TSHRSMN1; SMN2TP53MAPK1
SCHEMBL28713701 0.84 CA2 (0.55) TSHRMAPK1L3MBTL1
SCHEMBL28935985 0.84 CA9 (0.44) KCNT1TSHRMAPK1L3MBTL1
SCHEMBL28701588 0.81 KCNT1 (0.52) KCNT1RAB9ANPC1SMN1; SMN2KDM4E

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
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 CN disclosed