SCHEMBL6591663

SCHEMBL6591663

C#Cc1cc2cccc(OCc3ccccc3)c2nc1C(=O)O.c1cc2ccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.43
XDH P47989 3/20 0.43
MAP4K4 O95819 1/20 0.42
KDM4E B2RXH2 2/20 0.42
DHODH Q02127 1/20 0.42
MCL1 Q07820 2/20 0.41
PTGER1 P34995 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FOLH1 Q04609 1/20 0.40

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
SCHEMBL6593190 0.94 PTGER1 (0.43) MRGPRX4XDHKDM4EPTGER1MEN1
SCHEMBL27629254 0.79 MRGPRX4 (0.55) MRGPRX4KDM4EPTGER1MEN1NPC1
SCHEMBL6080461 0.78 FOLH1 (0.50) MRGPRX4KDM4EPTGER1MEN1NPC1
SCHEMBL6080230 0.78 MRGPRX4 (0.43) MRGPRX4XDHMAP4K4DHODHPTGER1
SCHEMBL6591670 0.76 PARP1 (0.36) KDM4EDHODHKMT2ASMN1; SMN2MAPT
SCHEMBL6591179 0.76 PARP1 (0.34) KDM4EDHODHSMN1; SMN2MAPT
SCHEMBL6079921 0.73 MRGPRX4 (0.41) MRGPRX4PTGER1MEN1NPC1MITF
SCHEMBL6591502 0.71 HDAC3 (0.61) KDM4EPTGER1MEN1HPGDKMT2A
SCHEMBL6567309 0.70 MRGPRX4 (0.50) MRGPRX4KDM4EMEN1NPC1HPGD
SCHEMBL6591062 0.70 MRGPRX4 (0.46) MRGPRX4KDM4EDHODHPTGER1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed