SCHEMBL8047485

SCHEMBL8047485

O=C(O)c1ccc2nc(Sc3nnnn3-c3cccnc3)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.47
POLB P06746 6/20 0.45
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HSD11B1 P28845 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8044411 0.90 KMT2A (0.55) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL8033820 0.87 ALDH1A1 (0.49) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL8048432 0.83 MEN1 (0.47) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL8048777 0.82 ALDH1A1 (0.56) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL8049007 0.82 KMT2A (0.45) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL8042553 0.82 HPGD (0.48) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL8033702 0.82 CA2 (0.51) HPGDKMT2AALDH1A1MEN1HTT
SCHEMBL8044516 0.82 PTGS2 (0.42) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL8051869 0.82 ALDH1A1 (0.45) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL8042805 0.81 ALDH1A1 (0.48) HPGDKMT2AALDH1A1MEN1POLB

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed