SCHEMBL8045824

SCHEMBL8045824

O=C(Nc1cnc(Sc2nnnn2-c2sccc2Cl)s1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL8050049 0.89 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL8050177 0.85 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL8050828 0.84 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL8041828 0.84 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL8051515 0.81 HPGD (0.49) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL8043575 0.80 USP7 (0.36) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL8042315 0.80 KMT2A (0.46) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL8032670 0.80 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL8051230 0.79 TP53 (0.46) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL8042692 0.79 POLB (0.46) ALDH1A1MEN1KMT2AHTTMAPT

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