SCHEMBL5593876

SCHEMBL5593876

O=[N+]([O-])c1cc2c(I)nn(C3CCCCO3)c2cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
DGAT2 Q96PD7 1/20 0.33
RET P07949 1/20 0.33
VCAM1 P19320 1/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 4/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ESR1 P03372 1/20 0.31
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5593656 0.87 KMT2A (0.36) CYP1A2RETMAPTMEN1KMT2A
SCHEMBL1026761 0.84 KMT2A (0.36) CYP1A2RETMAPTMEN1KMT2A
SCHEMBL5604700 0.84 ALDH1A1 (0.40) CYP1A2POLBMAPTHTTSMN1; SMN2
SCHEMBL31133410 0.81 DGAT2 (0.35) DGAT2RETPOLBKMT2ASMN1; SMN2
SCHEMBL5605093 0.81 ALDH1A1 (0.43) CYP1A2MAPTKMT2AHTTSMN1; SMN2
SCHEMBL28686145 0.80 SIRT2 (0.40) CYP1A2HPGDPOLBMAPTMEN1
SCHEMBL29643977 0.80 SIRT2 (0.40) CYP1A2HPGDPOLBMAPTMEN1
SCHEMBL31475214 0.80 CYP1A2 (0.39) CYP1A2HPGDDGAT2POLBMAPT
SCHEMBL4048725 0.80 CYP1A2 (0.39) CYP1A2HPGDDGAT2POLBMAPT
SCHEMBL29233750 0.77 ATR (0.36) DGAT2RETPOLBALDH1A1

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-2007058626-A1 INDAZOLE COMPOUNDS S*BIO PTE LTD (SG) 2007-05-24 WO disclosed