SCHEMBL6594101

SCHEMBL6594101

O=C(O)c1cc(OCc2ccccc2)c2cccc(C#Cc3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
XDH P47989 1/20 0.42
PTGER1 P34995 3/20 0.42
PLAUR Q03405 1/20 0.42
SRD5A2 P31213 1/20 0.40
SLC16A3 O15427 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL6079765 0.89 NOTUM (0.41) MRGPRX4PLAUR
SCHEMBL6596273 0.88 XDH (0.44) MCL1XDHPTGER1P4HTM
SCHEMBL6591653 0.87 MRGPRX4 (0.46) MCL1MRGPRX4XDHPTGER1SRD5A2
SCHEMBL6592610 0.84 XDH (0.49) MCL1XDH
SCHEMBL6601912 0.83 CTSL (0.39) MCL1MRGPRX4XDHPTGER1ALOX15
SCHEMBL6590520 0.80 MRGPRX4 (0.47) MCL1MRGPRX4PTGER1SRD5A2P4HTM
SCHEMBL6596767 0.80 MRGPRX4 (0.47) MCL1MRGPRX4PTGER1SRD5A2P4HTM
SCHEMBL6080107 0.80 ADORA3 (0.39) MCL1XDHPTGER1
SCHEMBL6598155 0.79 PTGER1 (0.50) MCL1MRGPRX4PTGER1
SCHEMBL6593178 0.79 XDH (0.47) MCL1XDHPTGER1P4HTM

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