SCHEMBL8034305

SCHEMBL8034305

O=C(O)c1ccc(-n2nnnc2Sc2nc(Br)c(Br)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
PPARG P37231 1/20 0.51
HPGD P15428 4/20 0.50
RECQL P46063 1/20 0.50
EP300 Q09472 1/20 0.48
ALDH1A1 P00352 6/20 0.46
MAPK1 P28482 4/20 0.46
POLB P06746 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 2/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.41
MITF O75030 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
SCHEMBL8044801 0.86 RECQL (0.48) KMT2AMEN1PPARGHPGDRECQL
SCHEMBL8052220 0.85 ALDH1A1 (0.54) KMT2AMEN1HPGDEP300ALDH1A1
SCHEMBL8043940 0.85 ALDH1A1 (0.43) KMT2AMEN1HPGDALDH1A1MAPK1
SCHEMBL8044786 0.81 ALDH1A1 (0.42) KMT2AHPGDALDH1A1MAPK1POLB
SCHEMBL8047577 0.81 SMN1; SMN2 (0.45) KMT2AMEN1HPGDALDH1A1MAPK1
SCHEMBL8042219 0.81 PTGS2 (0.44) KMT2AALDH1A1MAPK1HTTTP53
SCHEMBL8048499 0.80 KDM4E (0.49) KMT2AMEN1HPGDRECQLALDH1A1
SCHEMBL8042640 0.80 MAPT (0.44) KMT2AMEN1HPGDALDH1A1MAPK1
SCHEMBL8045485 0.80 ALDH1A1 (0.57) KMT2AMEN1PPARGHPGDRECQL
SCHEMBL8033820 0.80 ALDH1A1 (0.49) KMT2AMEN1PPARGHPGDRECQL

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