SCHEMBL6828158

SCHEMBL6828158

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IMPDH2 P12268 1/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.34
NR4A2 P43354 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
CISD2 Q8N5K1 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6825466 0.90 PTPN1 (0.40) PTPN1SMN1; SMN2NPSR1IMPDH2LMNA
SCHEMBL6830384 0.84 ALDH1A1 (0.44) PTPN1NPSR1IMPDH2ALDH1A1KMT2A
SCHEMBL10483761 0.83 PTPN1 (0.40) PTPN1SMN1; SMN2NPSR1IMPDH2ALDH1A1
SCHEMBL6828395 0.77 CA2 (0.36) PTPN1SMN1; SMN2IMPDH2ALDH1A1TSHR
SCHEMBL8335107 0.77 CYP3A4 (0.38) PTPN1SMN1; SMN2NPSR1LMNAALDH1A1
SCHEMBL31643994 0.77 PTPN1 (0.44) PTPN1SMN1; SMN2NPSR1LMNAALDH1A1
SCHEMBL13662917 0.75 PTPN1 (0.42) PTPN1SMN1; SMN2NPSR1LMNAALDH1A1
SCHEMBL31643691 0.73 SMN1; SMN2 (0.41) SMN1; SMN2NPSR1ALDH1A1KMT2AMEN1
SCHEMBL6828617 0.71 ERN1 (0.34) PTPN1IMPDH2
SCHEMBL14963929 0.71 PTPN1 (0.47) PTPN1SMN1; SMN2NPSR1LMNAALDH1A1

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
WO-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 WO disclosed