SCHEMBL9904572

SCHEMBL9904572

CC(C)c1nc2cscc2[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 7/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
TSSK1B Q9BXA7 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.32
CAPN1 P07384 1/20 0.32

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
SCHEMBL12794452 0.74 KDM4E (0.62) KMT2AALDH1A1HPGDGAAKDM4E
SCHEMBL30637053 0.74 KDM4E (0.62) KMT2AALDH1A1HPGDGAAKDM4E
SCHEMBL9904546 0.69 KDM4E (0.58) KMT2AALDH1A1HPGDGAAKDM4E
SCHEMBL19386336 0.69 HRH4 (0.52) KMT2AALDH1A1HPGDKDM4EMEN1
SCHEMBL4548501 0.67
SCHEMBL4303506 0.67 ALDH1A1 (0.54) KMT2AALDH1A1HPGDGAAKDM4E
SCHEMBL4308827 0.67 CYP1A2 (0.52) KMT2AALDH1A1HPGDKDM4EMEN1
SCHEMBL15647696 0.65 PDE3B (0.42) KMT2AMEN1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL4314822 0.65 DAO (0.48) KMT2AALDH1A1HPGDGAAKDM4E
SCHEMBL9925837 0.64

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
WO-2012076966-A1 SUBSTITUTED THIENO [3,4-B] PYRAZINE COMPOUNDS LUPIN LIMITED (IN) 2012-06-14 WO disclosed
WO-2012076966-A1 SUBSTITUTED THIENO [3,4-B] PYRAZINE COMPOUNDS LUPIN LIMITED (IN) 2012-06-14 WO disclosed