SCHEMBL9209984

SCHEMBL9209984

Cn1nnnc1CSc1nc2cccnc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.50
ALDH1A1 P00352 11/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
RAB9A P51151 6/20 0.42
HPGD P15428 5/20 0.42
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 5/20 0.42
NPC1 O15118 5/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 3/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 2/20 0.41
APOBEC3G Q9HC16 2/20 0.39
GFER P55789 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
CASP1 P29466 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL9209063 0.85 PDK1 (0.45) PDK1ALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL9213963 0.79 ALDH1A1 (0.43) PDK1ALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL9217634 0.74 POLB (0.38) PDK1ALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL9456218 0.70 ALDH1A1 (0.38) PDK1ALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL9207952 0.70 POLB (0.34) PDK1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL1002931 0.69 PDK1 (0.73) PDK1ALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL9208015 0.69 PDK1 (0.63) PDK1ALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL9219349 0.69 HTR1A (0.42) PDK1ALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL9275611 0.69 PDK1 (0.58) PDK1ALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL9214665 0.69 MAPT (0.63) PDK1ALDH1A1SMN1; SMN2RAB9AHPGD

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 4 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 disclosed
US-5200407-A Antisecretory agents MEIJI SEIKA KABURHIKI KAISHA (JP) 1993-04-06 US disclosed
US-5141946-A Antisecretory agents; acid resistance MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed
US-5079255-A Nontoxic, acid stability MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-01-07 US disclosed