SCHEMBL8043948

SCHEMBL8043948

Cc1[nH]c(-c2nnc(Sc3nc(-c4ccccc4)cs3)n2-c2ccccc2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TSHR P16473 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HDAC6 Q9UBN7 1/20 0.38
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 4/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
NOD2 Q9HC29 1/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.34
TDP1 Q9NUW8 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
SCHEMBL8042791 0.93 SIRT2 (0.39) ALDH1A1TSHRKMT2AMEN1HTT
SCHEMBL8051017 0.88 ALDH1A1 (0.41) ALDH1A1TSHRKMT2AMEN1HDAC6
SCHEMBL8051011 0.88 EIF4E (0.35) ALDH1A1TSHRKMT2AMEN1HDAC6
SCHEMBL8050649 0.81 RECQL (0.37) ALDH1A1TSHRKMT2AMEN1HDAC6
SCHEMBL8050060 0.81 HTT (0.46) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL8042081 0.81 TSHR (0.44) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL8034059 0.79 ALDH1A1 (0.39) ALDH1A1TSHRKMT2AMEN1HDAC6
SCHEMBL8049124 0.78 TSHR (0.60) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL8032636 0.78 ATM (0.47) ALDH1A1TSHRKMT2AMEN1HDAC6
SCHEMBL8709945 0.77 ALDH1A1 (0.52) ALDH1A1TSHRKMT2AMEN1KDM4E

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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed