SCHEMBL7093334

SCHEMBL7093334

Cc1csc(-c2c(-c3ccccc3)[nH]c(=O)[nH]c2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PLA2G10 O15496 1/20 0.46
TYMP P19971 5/20 0.42
TP53 P04637 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MDM2 Q00987 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL7093332 0.86 HSD17B10 (0.44) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1573105 0.76 KDM4E (0.55) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1572915 0.75 ALDH1A1 (0.68) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL72613 0.71 AR (0.43) HPGDLMNASMN1; SMN2NPC1RAB9A
SCHEMBL1573422 0.70 KDM4E (0.50) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL8987259 0.69 TAS2R38 (0.44) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL6995912 0.68 BRD4 (0.34) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL6990226 0.68 BRD4 (0.43) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1573566 0.67 TYMP (0.62) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1573392 0.67 TYMP (0.62) KDM4EALDH1A1GAAHPGDHSD17B10

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-2003084935-A2 DIARYL PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOGOLICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2003-10-16 WO claimed
WO-2003084935-A2 DIARYL PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOGOLICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2003-10-16 WO disclosed