SCHEMBL5794232

SCHEMBL5794232

COc1cc2c(-c3cccn3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OCCN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
HTR6 P50406 1/20 0.41
SYK P43405 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.40
KDR P35968 3/20 0.38
SRC P12931 1/20 0.38
EGFR P00533 2/20 0.38
KIT P10721 2/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDPK1 O15530 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
EPHA2 P29317 1/20 0.37

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
SCHEMBL5797263 0.86 TP53 (0.39) BRD4HTR6KMT2A
SCHEMBL5794582 0.86 TP53 (0.39) BRD4HTR6KMT2A
SCHEMBL5795308 0.86 TP53 (0.39) BRD4HTR6KMT2A
SCHEMBL5794793 0.86 TP53 (0.39) BRD4HTR6KMT2A
SCHEMBL5795812 0.86 TP53 (0.39) BRD4HTR6KMT2A
SCHEMBL5793330 0.85 TP53 (0.43) BRD4HTR6KMT2AKDM4EGAA
SCHEMBL5795269 0.83 MEN1 (0.40) BRD4HTR6ALDH1A1KMT2AMAPK1
SCHEMBL5795360 0.83 TP53 (0.37) HTR6ALDH1A1KMT2AGAAHPGD
SCHEMBL1748711 0.83 KMT2A (0.40) BRD4SYKALDH1A1KMT2AKDR
SCHEMBL5795248 0.81 SRD5A1 (0.41) BRD4ALDH1A1HPGD

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