SCHEMBL6983554

SCHEMBL6983554

O=C(NCc1ccccc1)c1cccc2cccnc12

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.76
NSD2 O96028 1/20 0.67
MAPT P10636 1/20 0.60
MAPK8 P45983 1/20 0.60
ATM Q13315 1/20 0.60
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
ADORA2A P29274 2/20 0.56
ADORA1 P30542 1/20 0.56
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
USP2 O75604 1/20 0.53

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
SCHEMBL28239389 0.88 EGLN1 (0.60) EGLN1NSD2MAPTMAPK8ATM
SCHEMBL2200760 0.86 EGLN1 (1.00) EGLN1NSD2MAPTMAPK8ATM
SCHEMBL18641961 0.85 EGLN1 (0.57) EGLN1NSD2MAPTKMT2AMEN1
SCHEMBL15447128 0.85 EGLN1 (0.57) EGLN1NSD2MAPTKMT2AMEN1
SCHEMBL12186787 0.85 HDAC6 (0.68) EGLN1
SCHEMBL29617730 0.85 EGLN1 (0.57) EGLN1NSD2MAPTKMT2AMEN1
SCHEMBL4969813 0.84 ALDH1A1 (0.64) EGLN1KMT2AMEN1NPC1RAB9A
SCHEMBL2144302 0.83 EGLN1 (0.75) EGLN1NSD2MAPTMAPK8ATM
SCHEMBL7382937 0.82 EGLN1 (0.74) EGLN1MAPTKMT2AMEN1NPC1
SCHEMBL3182140 0.81 NSD2 (0.68) EGLN1NSD2MAPTMAPK8ATM

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
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed