SCHEMBL6828616

SCHEMBL6828616

COCCn1nc(-c2sc(C(=O)NC3CC3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 1/20 0.40
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL6133697 0.91 HSD17B10 (0.46) USP2MAPK1CYP2D6KDM4EALDH1A1
SCHEMBL6133518 0.89 USP2 (0.46) USP2MAPK1CYP2D6ALDH1A1HSD17B10
SCHEMBL6133653 0.86 ALDH1A1 (0.54) USP2MAPK1ALDH1A1MEN1KMT2A
SCHEMBL6134080 0.86 KDM4E (0.53) CYP2D6KDM4EALDH1A1MEN1KMT2A
SCHEMBL6133402 0.86 KDM4E (0.41) CYP2D6KDM4EALDH1A1MEN1KMT2A
SCHEMBL6133434 0.86 ALDH1A1 (0.46) MAPK1CYP2D6KDM4EALDH1A1MEN1
SCHEMBL6920286 0.84 HTT (0.43) USP2MAPK1CYP2D6KDM4EALDH1A1
SCHEMBL6133469 0.83 HTT (0.47) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL6133540 0.81 KMT2A (0.51) USP2MAPK1KDM4EALDH1A1MEN1
SCHEMBL6133760 0.81 MAOB (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2CNR1

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