SCHEMBL2298161

SCHEMBL2298161

OCCc1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX5 P09917 1/20 0.42
GAA P10253 1/20 0.42
BACE1 P56817 1/20 0.42
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDK2 Q15119 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
XBP1 P17861 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.38
CA2 P00918 2/20 0.38
KIF11 P52732 1/20 0.38
NOTUM Q6P988 2/20 0.37
HTT P42858 2/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL2094824 0.85 KIF11 (0.47) MAPTGAALMNASMN1; SMN2PDK2
SCHEMBL2298235 0.83 MAPT (0.39) MAPTGAALMNASMN1; SMN2MEN1
SCHEMBL27427307 0.81 TAAR1 (0.50) MAPTKDM4EALDH1A1GAALMNA
SCHEMBL3637053 0.79 NR3C2 (0.49) MAPTKDM4EALDH1A1ALOX5GAA
SCHEMBL6813477 0.79 KDM4E (0.59) MAPTKDM4EALDH1A1ALOX5GAA
SCHEMBL1639279 0.79 NOTUM (0.40) MAPTGAALMNASMN1; SMN2MEN1
SCHEMBL30626572 0.79 NOTUM (0.40) MAPTGAALMNASMN1; SMN2MEN1
SCHEMBL5722021 0.78 TRPV1 (0.58) MAPTKDM4EALDH1A1ALOX5GAA
SCHEMBL2089711 0.77 NOTUM (0.39) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL2089713 0.77 LOXL2 (0.43) MAPTLMNASMN1; SMN2MEN1KMT2A

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-2011103063-A1 THERAPEUTIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-08-25 WO disclosed