SCHEMBL7128064

SCHEMBL7128064

COc1c(Br)ccc(C(=O)Cl)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.40
HSD17B10 Q99714 2/20 0.40
PTPN1 P18031 2/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.38
APOBEC3A P31941 1/20 0.38
HTT P42858 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CA2 P00918 3/20 0.35
HPGD P15428 2/20 0.35
CA4 P22748 1/20 0.35
TPMT P51580 1/20 0.35
CA1 P00915 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 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
SCHEMBL7127616 0.83 HSD17B10 (0.53) GPR35HSD17B10PTPN1MAPTSMN1; SMN2
SCHEMBL9170185 0.78 PTPN1 (0.35) GPR35HSD17B10PTPN1MAPTSMN1; SMN2
SCHEMBL1515828 0.78 HSD17B10 (0.43) HSD17B10PTPN1TSHRAPOBEC3AHTT
SCHEMBL2202238 0.78 TDP1 (0.44) HSD17B10MAPTRAB9ATDP1ALDH1A1
SCHEMBL29997568 0.78 TDP1 (0.44) HSD17B10MAPTRAB9ATDP1ALDH1A1
SCHEMBL8492599 0.76 MAPT (0.52) HSD17B10MAPTSMN1; SMN2TSHRALDH1A1
SCHEMBL11815709 0.76 ALDH1A1 (0.37) ALDH1A1ALOX15
SCHEMBL21828912 0.74 SMN1; SMN2 (0.47) MAPTSMN1; SMN2TSHRTDP1ALDH1A1
SCHEMBL6215179 0.73 HSD17B10 (0.55) GPR35HSD17B10PTPN1MAPTTSHR
SCHEMBL11521097 0.73 TSHR (0.44) PTPN1MAPTTSHRAPOBEC3AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6247891-A None JP disclosed
EP-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO disclosed
JP-H06247891-A CYCLOHEXANEDIONE DERIVATIVE AND HERBICIDE HOKKO CHEM IND CO LTD 1994-09-06 JP disclosed