SCHEMBL20006950

SCHEMBL20006950

C=CC(=O)c1cc(OC)c(OC)c(OC)c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 2/20 0.46
TNFRSF1A P19438 1/20 0.46
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.43
PSMB11 A5LHX3 1/20 0.42
PSMA7 O14818 1/20 0.42
PSMB1 P20618 1/20 0.42
PSMA1 P25786 1/20 0.42

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
SCHEMBL18482098 0.83 PTPN1 (0.50) PTPN1SMN1; SMN2MAPTRAB9ATSHR
SCHEMBL4302772 0.81 LCK (0.59) PTPN1SMN1; SMN2MAPTRAB9ATSHR
SCHEMBL16163270 0.80 PTPN1 (0.48) PTPN1SMN1; SMN2MAPTRAB9ATSHR
SCHEMBL21635979 0.79 KDM4E (0.65) PTPN1SMN1; SMN2MAPTRAB9ATSHR
SCHEMBL28257934 0.79 PTPN1 (0.57) PTPN1SMN1; SMN2MAPTRAB9ATSHR
SCHEMBL16163314 0.79 SMN1; SMN2 (0.56) PTPN1SMN1; SMN2MAPTRAB9ATSHR
SCHEMBL16163313 0.79 SMN1; SMN2 (0.56) PTPN1SMN1; SMN2MAPTRAB9ATSHR
SCHEMBL9829761 0.77 TUBB1 (0.56) MAPTALDH1A1TNFRSF1APKML3MBTL1
SCHEMBL16163163 0.77 PTPN1 (0.54) PTPN1SMN1; SMN2MAPTRAB9ATSHR
SCHEMBL20007016 0.77 HMGCR (0.56) PTPN1SMN1; SMN2MAPTRAB9ATSHR

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-2942345-B1 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES FOR THE TREATMENT OF CANCER COUNCIL SCIENT IND RES (IN) 2018-03-28 EP disclosed