SCHEMBL8050859

SCHEMBL8050859

CC(C)(C)c1nnc(Sc2nc(Br)c(Br)s2)n1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
SLC22A12 Q96S37 3/20 0.31
VCP P55072 4/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL8046642 0.89 ALDH1A1 (0.36) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL8050718 0.81 HTT (0.51) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL8048514 0.78
SCHEMBL8031825 0.78 LMNA (0.40) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL8050159 0.76 LMNA (0.42) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL8034024 0.76 HTR1A (0.41) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL8046253 0.76 TSHR (0.35) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL8042794 0.75 TSHR (0.59) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL8051092 0.75 ATM (0.47) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL8034059 0.75 ALDH1A1 (0.39) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2

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