SCHEMBL3365784

SCHEMBL3365784

COc1ccc(C(=O)C(Br)Br)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LIMK1 P53667 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
SCHEMBL26440433 0.86 LIMK1 (0.49) EPHX2NPC1RAB9AALDH1A1MAPT
SCHEMBL28899309 0.82 NPC1 (0.58) EPHX2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL1983309 0.82 AKR1C3 (0.53) EPHX2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3394380 0.81 ALDH1A1 (0.59) EPHX2NPC1RAB9AALDH1A1MAPT
SCHEMBL22979384 0.80 KDM4E (0.51) EPHX2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL5729973 0.80 EPHX2 (0.48) EPHX2NPC1RAB9AALDH1A1MAPT
SCHEMBL5460005 0.80 MAPK10 (0.53) EPHX2NPC1RAB9AALDH1A1GAA
SCHEMBL7786256 0.79 GSK3B (0.50) EPHX2NPC1RAB9AMAPTLMNA
SCHEMBL26020311 0.78 EPHX2 (0.47) EPHX2NPC1RAB9AALDH1A1MAPT
SCHEMBL19230564 0.77 MAPT (0.48) EPHX2NPC1RAB9AALDH1A1MAPT

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed