SCHEMBL8034587

SCHEMBL8034587

O=C(O)c1sc(Sc2nnnn2-c2ccc([N+](=O)[O-])s2)nc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
KMT2A Q03164 6/20 0.36
MEN1 O00255 4/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
MITF O75030 1/20 0.33
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.33
ALPG P10696 1/20 0.33
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
EP300 Q09472 1/20 0.31
PSMD14 O00487 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL8032375 0.84 ALDH1A1 (0.33) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL8043090 0.84 MAPT (0.35) RECQLKMT2APOLBALDH1A1MAPT
SCHEMBL8713628 0.82 ALDH1A1 (0.35) RECQLKMT2APOLBALDH1A1MAPT
SCHEMBL8033650 0.81 ALDH1A1 (0.34) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL8043982 0.80 ALDH1A1 (0.47) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL8049019 0.78 RECQL (0.47) RECQLKMT2AMEN1POLBHPGD
SCHEMBL8032724 0.78 MAPT (0.33) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8044240 0.78 KMT2A (0.35) RECQLKMT2AMEN1POLBHPGD
SCHEMBL8051983 0.77 MAPT (0.39) RECQLKMT2AMEN1POLBHPGD
SCHEMBL8048302 0.77 KMT2A (0.39) RECQLKMT2AMEN1POLBHPGD

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