SCHEMBL8045150

SCHEMBL8045150

c1ccc(Cn2nnnc2Sc2nc3ccccc3s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.52
HPGD P15428 6/20 0.52
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 6/20 0.48
MAPK1 P28482 4/20 0.48
USP2 O75604 1/20 0.48
NPSR1 Q6W5P4 3/20 0.48
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
MGAM O43451 5/20 0.47
SI P14410 5/20 0.47
MGAM2 Q2M2H8 5/20 0.47
POLB P06746 2/20 0.46
RAB9A P51151 2/20 0.45

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
SCHEMBL8050578 0.88 ALDH1A1 (0.49) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL8044261 0.85 ALDH1A1 (0.50) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL8052166 0.84 ALDH1A1 (0.58) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL8038020 0.83 P2RX7 (0.44) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL8048145 0.83 ALDH1A1 (0.55) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL8032445 0.83 ALDH1A1 (0.50) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL8049808 0.82 SMN1; SMN2 (0.50) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL8042716 0.82 ALDH1A1 (0.52) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL8049949 0.82 MAPT (0.54) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL8046562 0.81 ALDH1A1 (0.70) ALDH1A1HPGDMAPTMEN1KMT2A

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