SCHEMBL7499757

SCHEMBL7499757

COc1ncccc1-c1ccc(CBr)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.52
LOXL2 Q9Y4K0 1/20 0.47
DHODH Q02127 1/20 0.44
BTK Q06187 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM1A O60341 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
SCHEMBL12936654 0.84 NAAA (0.58) NAAALOXL2DHODHBTKALOX5AP
SCHEMBL970744 0.81 ALOX5AP (0.49) NAAALOXL2DHODHBTKALOX5AP
SCHEMBL12864093 0.80 NPC1 (0.55) NAAALOXL2DHODHBTKALOX5AP
SCHEMBL4056518 0.80 DHODH (0.54) NAAALOXL2DHODHBTKALOX5AP
SCHEMBL29501236 0.79 BTK (0.50) NAAALOXL2DHODHBTKALOX5AP
SCHEMBL13422264 0.79 DHODH (0.53) NAAALOXL2DHODHBTKALOX5AP
SCHEMBL15674574 0.78 DHODH (0.47) NAAALOXL2DHODHBTKALOX5AP
SCHEMBL29501268 0.78 NPC1 (0.56) NAAALOXL2DHODHBTKALOX5AP
SCHEMBL15674356 0.78 NPC1 (0.56) NAAALOXL2DHODHBTKALOX5AP
SCHEMBL19510642 0.77 FFAR4 (0.60) NAAAALOX5APFEN1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed