SCHEMBL6922997

SCHEMBL6922997

CN1C(=O)C(Cc2cccc(Br)c2)Cc2cc(C(=O)O)cnc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KCNN4 O15554 1/20 0.35
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
BRD4 O60885 2/20 0.35
PLK1 P53350 2/20 0.35
ALK Q9UM73 1/20 0.34
PTGER4 P35408 2/20 0.34
PTGER2 P43116 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDE5A O76074 1/20 0.34
RIPK1 Q13546 1/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 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
SCHEMBL6747401 0.84 PTK2 (0.38) KMT2ARIPK1MAOB
SCHEMBL726487 0.65 RIPK1 (0.41) RIPK1
SCHEMBL18422666 0.65 LMNA (0.35) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL31518796 0.64 CARM1 (0.42)
SCHEMBL8259151 0.62 ABCB1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL8259949 0.62 ABCB1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL18193084 0.62 CYP19A1 (0.41) L3MBTL1MEN1KMT2A
SCHEMBL30489343 0.61 DRD2 (0.46) L3MBTL1ALDH1A1MEN1KMT2ARIPK1
SCHEMBL28995160 0.61 DRD2 (0.46) L3MBTL1ALDH1A1MEN1KMT2ARIPK1
SCHEMBL6110571 0.60 DRD2 (0.45) L3MBTL1ALDH1A1MEN1KMT2A

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
WO-2004014389-A1 3,4-DIHYDROQUINOLIN-2-ONE, 5,6-FUSED OXAZIN-3-ONE, AND 5,6-FUSED THIAZIN-3-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
WO-2004014389-A1 3,4-DIHYDROQUINOLIN-2-ONE, 5,6-FUSED OXAZIN-3-ONE, AND 5,6-FUSED THIAZIN-3-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed