SCHEMBL6602356

SCHEMBL6602356

CN(c1ccccc1)c1cccc2c(OCc3ccccc3)cc(C(=O)O)nc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.42
PTGER1 P34995 4/20 0.41
LTB4R Q15722 3/20 0.41
LTB4R2 Q9NPC1 3/20 0.41
ALOX15 P16050 1/20 0.41
MCL1 Q07820 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
SRD5A2 P31213 1/20 0.39
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL6079313 0.91 NOTUM (0.41) MRGPRX4LTB4RLTB4R2
SCHEMBL6592207 0.90 MRGPRX4 (0.44) MRGPRX4PTGER1LTB4RLTB4R2ALOX15
SCHEMBL6672382 0.88 PTGER1 (0.43) MRGPRX4PTGER1MCL1
SCHEMBL6599537 0.87 MRGPRX4 (0.42) MRGPRX4PTGER1LTB4RLTB4R2ALOX15
SCHEMBL6672379 0.85 ALOX15 (0.40) MRGPRX4PTGER1ALOX15
SCHEMBL6598155 0.81 PTGER1 (0.50) MRGPRX4PTGER1MCL1
SCHEMBL6080646 0.80 NOTUM (0.42) MRGPRX4LTB4RLTB4R2
SCHEMBL6079317 0.80 LTB4R (0.39) MRGPRX4PTGER1LTB4RLTB4R2KDM4C
SCHEMBL6596767 0.79 MRGPRX4 (0.47) MRGPRX4PTGER1ALOX15MCL1SRD5A2
SCHEMBL6590520 0.79 MRGPRX4 (0.47) MRGPRX4PTGER1MCL1SRD5A2

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