SCHEMBL9537013

SCHEMBL9537013

O=C(O)c1nc2cc3cccnc3nc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 5/20 0.38
ACP1 P24666 1/20 0.38
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CYP2A6 P11509 1/20 0.36
RPS6KB2 Q9UBS0 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
PDK1 Q15118 1/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL30943923 0.78 PDK1 (0.56) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL2645378 0.78 PDK1 (0.56) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL483352 0.75 PI4KA (0.46) MEN1KMT2AKDM4EALDH1A1CASP1
SCHEMBL16264544 0.71 KDM4E (0.46) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL3892806 0.70 KDM4E (0.53) MEN1KMT2AKDM4ELMNAMCL1
SCHEMBL352470 0.70 KDM4E (0.53) MEN1KMT2AKDM4ELMNAMCL1
SCHEMBL8681504 0.69 ALDH1A1 (0.53) MEN1KMT2AKDM4ELMNAMCL1
SCHEMBL483604 0.68 RIPK1 (0.38) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL22777775 0.68 MAP4K4 (0.43) KDM4ELMNA
SCHEMBL31229583 0.67 MAPT (0.35) MEN1KMT2AKDM4ELMNAALDH1A1

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-0312794-B1 THIAZETIDINE DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-05-19 EP disclosed
EP-0312794-A1 Thiazetidine derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1989-04-26 EP disclosed