SCHEMBL8046541

SCHEMBL8046541

Cc1nc(-c2ccccc2)sc1-c1nnc(Sc2nc(CC(=O)O)cs2)n1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL8047964 0.84 KDM4E (0.54) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL8034048 0.83 KDM4E (0.53) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL8044462 0.79 ALDH1A1 (0.48) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL8042813 0.79 KDM4E (0.52) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL8043598 0.79 RECQL (0.55) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL8052083 0.79 ALDH1A1 (0.47) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL8033946 0.78 ATM (0.45) ALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL8042821 0.77 RPA1 (0.54) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL8050649 0.77 RECQL (0.37) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL8050065 0.77 KDM4E (0.52) KDM4EALDH1A1HPGDCYP1A2CYP2C9

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