SCHEMBL364183

SCHEMBL364183

COc1ncc([C@](C(C)=O)(c2ccc(Br)cc2)c2ccccc2C)cn1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
HSP90AA1 P07900 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
KCNN4 O15554 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL14894794 0.87 GPR183 (0.38) GPR183KCNH2NPC1RAB9AMEN1
SCHEMBL363964 0.87 GPR183 (0.38) GPR183KCNH2NPC1RAB9AMEN1
SCHEMBL364659 0.81 KCNK3 (0.33) NPC1RAB9AHSP90AA1ALDH1A1LMNA
SCHEMBL363771 0.79 NPC1 (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL14965530 0.78 RAB9A (0.37) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL14965778 0.78 RAB9A (0.37) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL14965127 0.78 KMT2A (0.38) NPC1RAB9AMEN1KMT2AHSP90AA1
SCHEMBL363549 0.77 NPC1 (0.34) NPC1RAB9ATP53MAPK1ALDH1A1
SCHEMBL364193 0.77 NPC1 (0.34) NPC1RAB9ATP53MAPK1ALDH1A1
SCHEMBL363211 0.77 NPC1 (0.34) NPC1RAB9ATP53MAPK1ALDH1A1

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed