SCHEMBL8044703

SCHEMBL8044703

O=C(O)c1cnc(Sc2nnnn2-c2ccc(Oc3ccccc3)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
TSHR P16473 3/20 0.44
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 6/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 3/20 0.42
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 3/20 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
SCHEMBL8044465 0.90 ALDH1A1 (0.51) MAPTTSHRKMT2ASMN1; SMN2MEN1
SCHEMBL8033822 0.88 KDM4E (0.54) MAPTTSHRKMT2ASMN1; SMN2MEN1
SCHEMBL8045818 0.85 HPGD (0.51) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8042658 0.84 KMT2A (0.42) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8044847 0.84 SMN1; SMN2 (0.45) MAPTTSHRKMT2ASMN1; SMN2MEN1
SCHEMBL8046081 0.83 ALDH1A1 (0.46) MAPTTSHRKMT2ASMN1; SMN2MEN1
SCHEMBL8050355 0.82 MAPT (0.44) MAPTTSHRKMT2ASMN1; SMN2MEN1
SCHEMBL8033656 0.82 ALDH1A1 (0.41) MAPTTSHRKMT2ASMN1; SMN2MEN1
SCHEMBL8047631 0.82 MAPT (0.41) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8046323 0.81 ALDH1A1 (0.50) MAPTTSHRKMT2ASMN1; SMN2MEN1

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed