SCHEMBL27437249

SCHEMBL27437249

Nc1sc(Cc2cccc3ccccc23)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
COPS5 Q92905 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
PTGER4 P35408 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP1A2 P05177 1/20 0.43
MCL1 Q07820 2/20 0.43
P2RX3 P56373 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41

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
SCHEMBL5864678 0.83 GAA (0.59) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL5865211 0.78 ALOX15 (0.56) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL27436187 0.76 PTGER4 (0.43) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL23827487 0.71 GAA (0.53) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL23567997 0.69 GPR35 (0.78) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL23827460 0.69 KMT2A (0.50) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL23827479 0.68 HSD17B10 (0.55) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL11186472 0.68 NR4A1 (0.63) MEN1KMT2AHPGDCOPS5TDP1
SCHEMBL5105542 0.68 MAPT (0.56) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL27531649 0.68 NR4A1 (0.53) MEN1KMT2AHPGDTDP1NR4A1

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
CN-1122037-C Thieno [2, 3-d ] pyrimidinediones, preparation method and use thereof, and pharmaceutical compositions containing the same ASTRA PHARMA PROD (GB) 2003-09-24 CN disclosed
CN-1264382-A Novel compounds ASTRA PHARMA PROD (GB) 2000-08-23 CN disclosed