SCHEMBL8046294

SCHEMBL8046294

Brc1ccc(-n2nnnc2Sc2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 2/20 0.45
DCUN1D1 Q96GG9 2/20 0.45
ALDH1A1 P00352 12/20 0.45
LMNA P02545 6/20 0.45
TSHR P16473 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 5/20 0.44
TP53 P04637 4/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 3/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
USP2 O75604 2/20 0.42
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL8044812 0.91 ALDH1A1 (0.52) UBE2MDCUN1D1ALDH1A1LMNATSHR
SCHEMBL8033588 0.88 HSD17B10 (0.45) ALDH1A1LMNATSHRSMN1; SMN2NPSR1
SCHEMBL8042159 0.86 RAB9A (0.47) UBE2MDCUN1D1ALDH1A1LMNATSHR
SCHEMBL8042528 0.86 ALDH1A1 (0.45) UBE2MDCUN1D1ALDH1A1LMNATSHR
SCHEMBL8034319 0.85 ALDH1A1 (0.51) ALDH1A1LMNATSHRSMN1; SMN2NPSR1
SCHEMBL8045514 0.85 HPGD (0.54) UBE2MDCUN1D1ALDH1A1LMNATSHR
SCHEMBL8044654 0.85 MAPT (0.44) UBE2MDCUN1D1ALDH1A1LMNATSHR
SCHEMBL8041897 0.83 ALDH1A1 (0.47) UBE2MDCUN1D1ALDH1A1LMNATSHR
SCHEMBL8043233 0.83 PTGS2 (0.56) UBE2MDCUN1D1ALDH1A1LMNATSHR
SCHEMBL8043905 0.82 KDM4E (0.37) UBE2MDCUN1D1ALDH1A1LMNATSHR

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