SCHEMBL5795079

SCHEMBL5795079

COCCOc1cc2c(cc1OC)c(-c1cc(Cl)cn1S(=O)(=O)c1ccc(C)cc1)cn2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
BRD4 O60885 5/20 0.36
HTR6 P50406 2/20 0.35
IGF1R P08069 1/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KIT P10721 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRIM24 O15164 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
SCHEMBL5793855 0.93 TP53 (0.39) TP53BRD4HTR6IGF1RPOLB
SCHEMBL5794969 0.92 TP53 (0.38) TP53BRD4HTR6IGF1RPOLB
SCHEMBL5795324 0.92 TP53 (0.42) TP53BRD4HTR6IGF1RMAPT
SCHEMBL5797982 0.87 SRD5A1 (0.39) TP53BRD4HTR6MAPTALDH1A1
SCHEMBL5797263 0.86 TP53 (0.39) TP53BRD4HTR6IGF1RMAPT
SCHEMBL5796689 0.83 TP53 (0.45) TP53BRD4HTR6IGF1RMAPT
SCHEMBL5794832 0.81 TP53 (0.48) TP53BRD4HTR6MAPTPOLB
SCHEMBL5794529 0.81 TP53 (0.42) TP53BRD4HTR6IGF1RMAPT
SCHEMBL5794306 0.81 HTR6 (0.34) TP53HTR6L3MBTL1SMN1; SMN2
SCHEMBL1749060 0.81 PTGDR2 (0.37) TP53IGF1RMAPTPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732546-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 EP disclosed
WO-2005095399-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-10-13 WO disclosed