SCHEMBL8044801

SCHEMBL8044801

CC(C)(C)c1nc(Sc2nnnn2-c2ccc(C(=O)O)cc2)sc1Br

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
PPARG P37231 1/20 0.47
HPGD P15428 4/20 0.46
EP300 Q09472 1/20 0.45
ALDH1A1 P00352 7/20 0.43
MAPK1 P28482 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MITF O75030 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.36

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
SCHEMBL8042628 0.87 ALDH1A1 (0.41) RECQLKMT2AHPGDALDH1A1MAPK1
SCHEMBL8043561 0.87 ALDH1A1 (0.52) KMT2AHPGDALDH1A1MAPK1NPSR1
SCHEMBL8034305 0.86 KMT2A (0.51) RECQLKMT2AMEN1PPARGHPGD
SCHEMBL8043610 0.84 ALDH1A1 (0.39) KMT2AHPGDALDH1A1MAPK1NPSR1
SCHEMBL8052060 0.83 MAPT (0.41) KMT2AMEN1HPGDALDH1A1MAPK1
SCHEMBL8051376 0.83 ALDH1A1 (0.45) RECQLKMT2AMEN1HPGDALDH1A1
SCHEMBL8044479 0.82 SMN1; SMN2 (0.44) KMT2AMEN1HPGDALDH1A1MAPK1
SCHEMBL8032855 0.82 PTGS2 (0.41) KMT2AALDH1A1MAPK1HTTTP53
SCHEMBL8050821 0.81 MAPT (0.35) RECQLKMT2AMEN1ALDH1A1MAPK1
SCHEMBL8049019 0.80 RECQL (0.47) RECQLKMT2AMEN1PPARGHPGD

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