SCHEMBL8043408

SCHEMBL8043408

CCOC(=O)CCc1nnc(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.38
MEN1 O00255 5/20 0.37
MAPT P10636 5/20 0.37
ALDH1A1 P00352 7/20 0.36
L3MBTL1 Q9Y468 6/20 0.36
PARP1 P09874 1/20 0.36
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 2/20 0.36
SDHB P21912 1/20 0.35
KDM4E B2RXH2 5/20 0.35
HSP90AA1 P07900 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HPGD P15428 5/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8048108 0.90 KMT2A (0.40) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL8050203 0.86 RXRA (0.41) KMT2AMEN1ALDH1A1L3MBTL1KDM4E
SCHEMBL8048125 0.84 CTSK (0.41) KMT2AMAPTALDH1A1L3MBTL1TDP1
SCHEMBL8047523 0.83 PARP1 (0.53) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL8050843 0.83 CTSS (0.38) MAPTALDH1A1L3MBTL1HDAC3HDAC4
SCHEMBL8044775 0.82 EIF4E (0.33) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL8042404 0.82 MAPT (0.45) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL8046557 0.81 CTSS (0.35) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL8033608 0.80 EIF4E (0.40) KMT2AMEN1ALDH1A1L3MBTL1KDM4E
SCHEMBL8033655 0.79 EIF4E (0.34) KMT2AMEN1MAPTALDH1A1L3MBTL1

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