SCHEMBL6920286

SCHEMBL6920286

C=CCn1nc(-c2sc(C(=O)NC3CC3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 5/20 0.39
CNR2 P34972 4/20 0.39
MAOB P27338 1/20 0.39
HPGD P15428 1/20 0.38
CYP2D6 P10635 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
CRHR1 P34998 1/20 0.36
CRHR2 Q13324 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6133518 0.88 USP2 (0.46) HTTUSP2MAPK1ALDH1A1MAPT
SCHEMBL6133653 0.87 ALDH1A1 (0.54) TSHRUSP2MAPK1ALDH1A1MAPT
SCHEMBL6133697 0.86 HSD17B10 (0.46) HTTKDM4EUSP2MAPK1ALDH1A1
SCHEMBL6134015 0.84 KDM4E (0.45) HTTKDM4ETSHRALDH1A1MAPT
SCHEMBL6828616 0.84 USP2 (0.43) HTTKDM4EUSP2MAPK1ALDH1A1
SCHEMBL6133400 0.84 KDM4E (0.48) HTTKDM4ETSHRALDH1A1MAPT
SCHEMBL6133434 0.82 ALDH1A1 (0.46) HTTKDM4EMAPK1ALDH1A1MAPT
SCHEMBL6133701 0.82 KDM4E (0.46) HTTKDM4ETSHRUSP2MAPK1
SCHEMBL6133255 0.80 HTT (0.47) HTTKDM4ETSHRUSP2MAPK1
SCHEMBL6133760 0.80 MAOB (0.40) HTTALDH1A1MEN1KMT2ASMN1; SMN2

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