SCHEMBL11564487

SCHEMBL11564487

COC(=O)C(Br)c1ccc(Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
IL18 Q14116 1/20 0.51
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
HTT P42858 1/20 0.42
GSK3B P49841 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 1/20 0.40

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
SCHEMBL5077987 0.92 GSK3B (0.47) MAPTKDM4EMEN1LMNAPOLB
SCHEMBL11565671 0.86 PARP15 (0.47) MAPTKDM4EMEN1LMNAPOLB
SCHEMBL1565875 0.81 MAPK1 (0.51) MAPK1RAB9AKMT2APARP10ALDH1A1
SCHEMBL11562437 0.80 FNTA (0.45) FNTAFNTBALDH1A1MMP2MMP1
SCHEMBL11562352 0.78 MAPT (0.45) MAPTMEN1LMNAMAPK1RAB9A
SCHEMBL378101 0.77 KMT2A (0.49) MEN1RAB9AKMT2AHTTALDH1A1
SCHEMBL9259272 0.77 GSK3B (0.45) MAPTKDM4EMEN1RAB9AKMT2A
SCHEMBL11564622 0.77 LMNA (0.40) MEN1LMNAPOLBMAPK1KMT2A
SCHEMBL31232337 0.77 SCN9A (0.37) LMNAMAPK1ALDH1A1SCN9A
SCHEMBL11568416 0.76 LMNA (0.45) MAPTKDM4EMEN1LMNAPOLB

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
US-4168385-A LOWERING OF STEROL AND TRIGLYCERIDE SERUM LEVELS AMERICAN CYANAMID COMPANY (US) 1979-09-18 US disclosed
US-4125729-A Hypolipemic α-aryloxy para substituted phenyl acetic acid compounds AMERICAN CYANAMID COMPANY (US) 1978-11-14 US disclosed