SCHEMBL6592997

SCHEMBL6592997

O=C(O)c1cc(OCc2ccccc2)c2cc(-c3ccc(F)cc3)cc(OCc3ccccc3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.51
MAP4K4 O95819 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
XDH P47989 2/20 0.45
PTGER1 P34995 2/20 0.44
DHODH Q02127 1/20 0.44
NR4A2 P43354 1/20 0.42
ANO1 Q5XXA6 1/20 0.42
SCN9A Q15858 2/20 0.41
PTPN1 P18031 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6079994 0.90 DHODH (0.46) MCL1MAP4K4MRGPRX4XDHPTGER1
SCHEMBL6593657 0.85 PTGER1 (0.47) MCL1MAP4K4XDHPTGER1
SCHEMBL6590567 0.83 ERN1 (0.51) MCL1MRGPRX4PTGER1DHODH
SCHEMBL6593354 0.83 PTGER1 (0.50) MCL1PTGER1
SCHEMBL6080002 0.82 MAP4K4 (0.43) MCL1MAP4K4MRGPRX4PTGER1DHODH
SCHEMBL6594640 0.81 PTGER1 (0.47) MCL1MAP4K4PTGER1
SCHEMBL6594732 0.81 MCL1 (0.49) MCL1MAP4K4XDHPTGER1PTPN1
SCHEMBL6588828 0.80 PTGER1 (0.49) MCL1MRGPRX4PTGER1
SCHEMBL6592298 0.79 MCL1 (0.53) MCL1MAP4K4DHODHANO1PTPN1
SCHEMBL31389261 0.79 ALOX15 (0.57) MRGPRX4XDHPTGER1NR4A2LMNA

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