SCHEMBL8043106

SCHEMBL8043106

CC(C)(C)c1ccc(-n2nnnc2Sc2nc3ccc(C(=O)O)cc3s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
HPGD P15428 5/20 0.45
ALDH1A1 P00352 5/20 0.45
RECQL P46063 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 2/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
EP300 Q09472 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAP3K5 Q99683 1/20 0.39
PPARD Q03181 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL8033820 0.91 ALDH1A1 (0.49) MEN1KMT2AHPGDALDH1A1RECQL
SCHEMBL8044411 0.88 KMT2A (0.55) MEN1KMT2AHPGDALDH1A1POLB
SCHEMBL8051869 0.87 ALDH1A1 (0.45) MEN1KMT2AHPGDALDH1A1RECQL
SCHEMBL8048432 0.87 MEN1 (0.47) MEN1KMT2AHPGDALDH1A1RECQL
SCHEMBL8042805 0.86 ALDH1A1 (0.48) MEN1KMT2AHPGDALDH1A1RECQL
SCHEMBL8042660 0.86 ALDH1A1 (0.45) MEN1KMT2AHPGDALDH1A1RECQL
SCHEMBL8044961 0.84 MEN1 (0.44) MEN1KMT2AHPGDALDH1A1RECQL
SCHEMBL8042553 0.84 HPGD (0.48) MEN1KMT2AHPGDALDH1A1RECQL
SCHEMBL8045105 0.83 ALDH1A1 (0.40) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL8049007 0.82 KMT2A (0.45) MEN1KMT2AHPGDALDH1A1POLB

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