SCHEMBL7536709

SCHEMBL7536709

CC(=NNCc1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.61
TDP1 Q9NUW8 6/20 0.61
ALOX12 P18054 3/20 0.61
MAPT P10636 3/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 3/20 0.50
ATM Q13315 2/20 0.50
RECQL P46063 1/20 0.50
HPGD P15428 1/20 0.49
METTL3 Q86U44 1/20 0.49
G6PC1 P35575 1/20 0.49
KDM4E B2RXH2 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL12711610 1.00 LMNA (0.61) LMNATDP1ALOX12MAPTPOLB
SCHEMBL23392557 0.90 LMNA (0.55) LMNATDP1ALOX12MAPTPOLB
SCHEMBL23392559 0.90 LMNA (0.55) LMNATDP1ALOX12MAPTPOLB
SCHEMBL7536762 0.88 KMT2A (0.66) LMNATDP1ALOX12MAPTALDH1A1
SCHEMBL7530445 0.85 NPC1 (0.60) LMNATDP1ALOX12MAPTALDH1A1
SCHEMBL7536739 0.85 RAB9A (0.48) LMNATDP1ALOX12MAPTPOLB
SCHEMBL7533926 0.85 TDP1 (0.67) LMNATDP1ALOX12MAPTMEN1
SCHEMBL7531135 0.83 MEN1 (0.64) LMNATDP1ALOX12MAPTPOLB
SCHEMBL27286584 0.82 MAPT (0.67) LMNATDP1ALOX12MAPTALDH1A1
SCHEMBL11718194 0.82 IDO1 (0.48) LMNATDP1ALOX12MAPTPOLB

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-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed