SCHEMBL9214629

SCHEMBL9214629

[O-][S+](CCN1CCOCC1)c1nc2cccnc2s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
USP2 O75604 1/20 0.40
LTA4H P09960 1/20 0.38
RAB9A P51151 4/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDK1 Q15118 1/20 0.36
ILK Q13418 1/20 0.36
POLB P06746 3/20 0.36
GLA P06280 1/20 0.36
RAD52 P43351 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL9215779 0.88 PDK1 (0.38) GAAUSP2LTA4HRAB9ATSHR
SCHEMBL9207415 0.81 DRD2 (0.38) NPC1PDK1POLBKDM1A
SCHEMBL9744020 0.79 HSP90AA1 (0.46) GAAUSP2LTA4HTSHRKDM4E
SCHEMBL9210123 0.76 PDK1 (0.44) GAARAB9ATSHRKDM4EALDH1A1
SCHEMBL9211637 0.75 POLB (0.39) GAARAB9AKDM4EALDH1A1NPC1
SCHEMBL9279997 0.74 HSD17B10 (0.41) GAAKDM4EALDH1A1PDK1POLB
SCHEMBL9743920 0.74 TMEM97 (0.44) GAAUSP2TSHRPOLBKMT2A
SCHEMBL9743934 0.74 CLK1 (0.52) GAAUSP2RAB9ATSHRALDH1A1
SCHEMBL9206848 0.74 PDK1 (0.50) GAAUSP2RAB9AKDM4EALDH1A1
SCHEMBL9742989 0.74 RAB9A (0.42) GAAUSP2LTA4HRAB9AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0405976-B1 Azole derivatives and antiulcerative composition containing same MEIJI SEIKA CO (JP) 1995-04-05 EP claimed
US-5200407-A Antisecretory agents MEIJI SEIKA KABURHIKI KAISHA (JP) 1993-04-06 US claimed