SCHEMBL8049007

SCHEMBL8049007

O=C(O)c1ccc2nc(Sc3nnnn3-c3cccc(C(F)(F)F)c3)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.45
MEN1 O00255 5/20 0.45
HPGD P15428 5/20 0.45
ALDH1A1 P00352 5/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 4/20 0.43
PPARA Q07869 1/20 0.42
MAPT P10636 2/20 0.41
CPB1 P15086 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 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
SCHEMBL8044411 0.88 KMT2A (0.55) KMT2AMEN1HPGDALDH1A1TP53
SCHEMBL8052209 0.85 ALDH1A1 (0.53) KMT2AMEN1HPGDALDH1A1TP53
SCHEMBL8033820 0.84 ALDH1A1 (0.49) KMT2AMEN1HPGDALDH1A1TP53
SCHEMBL8041923 0.83 PDK1 (0.47) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL8042814 0.83 PTGS2 (0.40) KMT2AMEN1HPGDALDH1A1TP53
SCHEMBL8047485 0.82 HPGD (0.47) KMT2AMEN1HPGDALDH1A1TP53
SCHEMBL8043106 0.82 MEN1 (0.45) KMT2AMEN1HPGDALDH1A1TP53
SCHEMBL8032703 0.81 KMT2A (0.44) KMT2AMEN1HPGDALDH1A1TP53
SCHEMBL8048432 0.81 MEN1 (0.47) KMT2AMEN1HPGDALDH1A1TP53
SCHEMBL8042553 0.80 HPGD (0.48) KMT2AMEN1HPGDALDH1A1POLB

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