SCHEMBL4760489

SCHEMBL4760489

O=C([AsH]c1n[nH]c2sc(C(=O)NCCN3CCOCC3)cc12)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.52
EPHX2 P34913 1/20 0.48
HTR3A P46098 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PARP1 P09874 1/20 0.47
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.45
MAPT P10636 1/20 0.45
STAT3 P40763 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 2/20 0.45
ULK1 O75385 1/20 0.45
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
ICAM1 P05362 1/20 0.43
SELE P16581 1/20 0.43
MMP12 P39900 1/20 0.43
BCL3 P20749 1/20 0.43

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
SCHEMBL2420481 0.84 CD274 (0.56) CD274EPHX2HTR3ASMN1; SMN2PARP1
SCHEMBL2416784 0.76 ALDH1A1 (0.59) CD274EPHX2HTR3ASMN1; SMN2HPGD
SCHEMBL2417659 0.76 ALDH1A1 (0.53) CD274HPGDKDM4EALDH1A1HSD17B10
SCHEMBL2416065 0.76 ALDH1A1 (0.56) CD274EPHX2SMN1; SMN2HPGDKDM4E
SCHEMBL2421223 0.75 ALDH1A1 (0.50) CD274EPHX2SMN1; SMN2HPGDKDM4E
SCHEMBL2412603 0.75 BCL3 (0.61) SMN1; SMN2HPGDKDM4EALDH1A1HSD17B10
SCHEMBL2416429 0.74 ALDH1A1 (0.58) CD274HPGDKDM4EALDH1A1HSD17B10
SCHEMBL18108692 0.73 CD274 (0.56) CD274EPHX2HTR3ASMN1; SMN2HPGD
SCHEMBL2615238 0.73 CD274 (0.92) CD274EPHX2SMN1; SMN2HPGDKDM4E
SCHEMBL2615239 0.73 CD274 (0.92) CD274EPHX2SMN1; SMN2HPGDKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP claimed