SCHEMBL6828786

SCHEMBL6828786

CCOC(=O)c1nc(-c2ccccc2)c(-c2n[nH]c(=O)cc2C(C)C)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.49
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
DHODH Q02127 3/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
CDC7 O00311 3/20 0.40
DBF4 Q9UBU7 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
ADORA3 P0DMS8 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
SCHEMBL6825993 0.85 ADORA3 (0.45) HPGDSALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL6828337 0.84 CHEK1 (0.40) ALDH1A1HSD17B10HPGDKDM4ECYP2C9
SCHEMBL6828733 0.82 HPGDS (0.47) HPGDSPTGS2ALDH1A1HSD17B10HPGD
SCHEMBL6828438 0.82 L3MBTL1 (0.43) HSD17B10SMN1; SMN2
SCHEMBL6133301 0.81 ALDH1A1 (0.49) HPGDSPTGS2ALDH1A1HSD17B10HPGD
SCHEMBL6829284 0.80 MAPK8 (0.43) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL6829256 0.77 HPGD (0.39) HPGDSALDH1A1HPGDKDM4ECYP2C9
SCHEMBL6825783 0.76 ADORA1 (0.56) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6828463 0.76 ADORA3 (0.46) HPGDSALDH1A1HSD17B10HPGDKDM4E
SCHEMBL6828830 0.76 ADORA2A (0.48) ALDH1A1HSD17B10HPGDKDM4EMEN1

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
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 WO disclosed