SCHEMBL8032469

SCHEMBL8032469

O=C(O)c1ccc(-n2nnnc2Sc2ncc([N+](=O)[O-])s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.57
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
HPGD P15428 3/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MITF O75030 1/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 3/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
EP300 Q09472 1/20 0.45
LMNA P02545 2/20 0.45
MAPK8 P45983 2/20 0.43
MAPK9 P45984 2/20 0.43
MAPK10 P53779 2/20 0.43
PPARG P37231 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL8045048 0.88 MAPT (0.47) RECQLKMT2AMEN1HPGDPOLB
SCHEMBL8046704 0.88 ALDH1A1 (0.60) KMT2AMEN1HPGDPOLBALDH1A1
SCHEMBL8049908 0.86 ALDH1A1 (0.47) RECQLKMT2AMEN1HPGDPOLB
SCHEMBL8034759 0.86 MAPT (0.47) RECQLKMT2AMEN1HPGDPOLB
SCHEMBL8044886 0.86 MAPK8 (0.51) RECQLKMT2AMEN1HPGDPOLB
SCHEMBL8048168 0.84 ALDH1A1 (0.45) RECQLKMT2AMEN1HPGDPOLB
SCHEMBL8047042 0.84 KMT2A (0.48) RECQLKMT2AMEN1POLBALDH1A1
SCHEMBL8046323 0.83 ALDH1A1 (0.50) RECQLKMT2AMEN1HPGDPOLB
SCHEMBL8045818 0.83 HPGD (0.51) RECQLKMT2AMEN1HPGDPOLB
SCHEMBL8050651 0.83 MAPT (0.44) RECQLKMT2AMEN1POLBALDH1A1

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