SCHEMBL5485718

SCHEMBL5485718

O=C(Nc1ccc(OCc2ccccn2)cc1)c1cccnc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.74
KMT2A Q03164 4/20 0.60
CYP3A4 P08684 1/20 0.60
ROCK2 O75116 1/20 0.56
ROCK1 Q13464 1/20 0.56
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
PARP10 Q53GL7 1/20 0.54
LMNA P02545 1/20 0.53
HIF1A Q16665 1/20 0.53
MAPT P10636 1/20 0.53
GFER P55789 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPK14 Q16539 1/20 0.52
SMO Q99835 1/20 0.52
NAMPT P43490 1/20 0.52

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
SCHEMBL6645468 0.88 RAB9A (0.65) RAB9AKMT2ACYP3A4ROCK2ROCK1
SCHEMBL19380041 0.84 TSHR (0.59) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL12310174 0.79 KMT2A (0.76) RAB9AKMT2ACYP3A4ROCK2ROCK1
SCHEMBL11617534 0.78 RAB9A (0.75) RAB9AKMT2ACYP3A4ROCK2ROCK1
SCHEMBL1193236 0.78 PARP10 (0.59) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL11195433 0.77 KMT2A (0.80) RAB9AKMT2ACYP3A4ROCK2ROCK1
SCHEMBL31530270 0.77 RAB9A (0.74) RAB9AKMT2ACYP3A4ROCK2ROCK1
SCHEMBL9719865 0.76 MEN1 (0.62) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL9719803 0.76 RNF4 (0.57) RAB9ACYP3A4NPC1SMN1; SMN2ALDH1A1
SCHEMBL5384036 0.76 ROCK2 (0.76) RAB9AKMT2ACYP3A4ROCK2ROCK1

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed