SCHEMBL5201253

SCHEMBL5201253

COC(=O)Oc1ccc(Br)c2c1OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.40
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 3/20 0.37
JAK2 O60674 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
PKM P14618 3/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.34
RECQL P46063 1/20 0.34
STAT1 P42224 1/20 0.34

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
SCHEMBL5203052 0.83 KDM4E (0.37) KDM4EHSD17B10HPGDALDH1A1MEN1
SCHEMBL5200399 0.77 MTNR1A (0.47) KDM4EHSD17B10HPGDALDH1A1KMT2A
SCHEMBL6837756 0.77 ALDH1A1 (0.43) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL4823719 0.73 TARBP2 (0.41) KDM4EHSD17B10HPGDALDH1A1KMT2A
SCHEMBL18196600 0.70 HPGD (0.42) KDM4EHSD17B10HPGDALDH1A1MEN1
SCHEMBL23388820 0.69 ALDH1A1 (0.50) CUL4AKDM4EHSD17B10HPGDALDH1A1
SCHEMBL29750502 0.69 ALDH1A1 (0.50) CUL4AKDM4EHSD17B10HPGDALDH1A1
SCHEMBL28524665 0.69 ALDH1A1 (0.51) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL25311998 0.69 ALDH1A1 (0.36) KDM4EHSD17B10HPGDALDH1A1MEN1
SCHEMBL25311996 0.69 ALDH1A1 (0.36) KDM4EHSD17B10HPGDALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 EP disclosed
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 WO disclosed