SCHEMBL8551259

SCHEMBL8551259

COC(=O)c1c(C(=O)Cl)cc(Br)c(OC)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
PTPN1 P18031 2/20 0.41
GPR35 Q9HC97 1/20 0.39
HPGD P15428 5/20 0.39
MAPT P10636 2/20 0.39
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
TPMT P51580 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.36
APOBEC3A P31941 1/20 0.36
HTT P42858 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SOS1 Q07889 1/20 0.35

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
SCHEMBL8550905 0.89 HSD17B10 (0.45) HSD17B10PTPN1GPR35HPGDMAPT
SCHEMBL8549323 0.86 HSD17B10 (0.54) HSD17B10PTPN1GPR35HPGDMAPT
SCHEMBL8548248 0.82 THRA (0.49) HPGDMAPTALDH1A1LMNAKDM4E
SCHEMBL8546447 0.79 HPGD (0.46) HSD17B10HPGDMAPTALDH1A1LMNA
SCHEMBL4113651 0.76 CA2 (0.48) HSD17B10PTPN1HPGDMAPTCA2
SCHEMBL8549612 0.73 HSD17B10 (0.59) HSD17B10PTPN1GPR35HPGDMAPT
SCHEMBL3709174 0.73 HSD17B10 (0.49) HSD17B10HPGDMAPTCA2CA4
SCHEMBL9258995 0.72 CA2 (0.48) HSD17B10PTPN1GPR35HPGDMAPT
SCHEMBL7128064 0.71 GPR35 (0.40) HSD17B10PTPN1GPR35HPGDMAPT
SCHEMBL8551491 0.71 THRA (0.49) HPGDMAPTALDH1A1LMNAKDM4E

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-0825187-A1 Condensed pyridazinyl guanidines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP disclosed