SCHEMBL6594274

SCHEMBL6594274

Nc1c(I)ccc2c(OCc3ccccc3)cc(C(=O)O)nc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.42
FFAR1 O14842 1/20 0.42
MAP4K4 O95819 1/20 0.41
PTGER1 P34995 3/20 0.41
P4HTM Q9NXG6 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
XDH P47989 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
SCHEMBL6080943 0.90 FFAR1 (0.40) FFAR1MAP4K4
SCHEMBL6593903 0.85 P2RY14 (0.46) MCL1MAP4K4PTGER1XDH
SCHEMBL6613626 0.82 PTGER1 (0.41) MCL1FFAR1PTGER1P4HTM
SCHEMBL6596767 0.82 MRGPRX4 (0.47) MCL1MAP4K4PTGER1P4HTMMRGPRX4
SCHEMBL6596585 0.79 THRA (0.45) MCL1PTGER1P4HTM
SCHEMBL6592323 0.78 MCL1 (0.48) MCL1PTGER1XDH
SCHEMBL6590520 0.77 MRGPRX4 (0.47) MCL1PTGER1P4HTMMRGPRX4
SCHEMBL6080945 0.76 KDM4E (0.36) MCL1FFAR1MAP4K4P4HTM
SCHEMBL6598155 0.76 PTGER1 (0.50) MCL1PTGER1MRGPRX4
SCHEMBL2908552 0.76 ALOX15 (0.64) MCL1PTGER1P4HTMMRGPRX4

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