SCHEMBL9988469

SCHEMBL9988469

CCOC(=O)c1ccc(-n2nc(CCC(=O)NCCN3CCNC3=O)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ILK Q13418 1/20 0.39
NPC1 O15118 1/20 0.38
ALOX5 P09917 1/20 0.37
DGAT1 O75907 1/20 0.37
SOAT1 P35610 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRA5 P31644 1/20 0.36
SCN9A Q15858 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
FAAH O00519 1/20 0.35
SLC5A1 P13866 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35

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
SCHEMBL9989823 0.90 RXRA (0.40) RAB9AKMT2AILKALOX5MAPT
SCHEMBL9988576 0.88 LMNA (0.47) ILKALOX5MAPTALDH1A1KDM4E
SCHEMBL9989270 0.86 RXRA (0.45) ILKALDH1A1KDM4ESCN9ARXRA
SCHEMBL9988491 0.85 ALDH1A1 (0.49) RAB9AKMT2ANPC1MAPTALDH1A1
SCHEMBL9988457 0.85 PTGS2 (0.44) KMT2ANPC1DGAT1SOAT1MAPT
SCHEMBL9990127 0.84 CA1 (0.44) ILKSCN9ASLC5A1RXRARXRB
SCHEMBL9988443 0.82 NAMPT (0.44) KMT2AILKMAPTALDH1A1TP53
SCHEMBL9989144 0.81 SMN1; SMN2 (0.49) KMT2AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL9988617 0.81 MALT1 (0.43) ALOX5FAAH
SCHEMBL9988828 0.80 MALT1 (0.45) KMT2AALOX5MAPTTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed