SCHEMBL7536739

SCHEMBL7536739

CC(=NNCc1ccc(N(C)C)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.48
ALDH1A1 P00352 8/20 0.48
MAPT P10636 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 4/20 0.48
TDP1 Q9NUW8 4/20 0.48
LMNA P02545 3/20 0.48
KMT2A Q03164 3/20 0.48
ALOX12 P18054 1/20 0.48
HPGD P15428 3/20 0.45
GFER P55789 2/20 0.45
KDM4E B2RXH2 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
F2 P00734 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM1A O60341 1/20 0.43
POLB P06746 1/20 0.42

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 0.85 LMNA (0.61) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7536709 0.85 LMNA (0.61) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7533926 0.79 TDP1 (0.67) RAB9AMAPTNPC1TDP1LMNA
SCHEMBL23392557 0.76 LMNA (0.55) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL23392559 0.76 LMNA (0.55) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7536698 0.75 ALDH1A1 (0.41) RAB9AALDH1A1MAPTNPC1TDP1
SCHEMBL7536762 0.75 KMT2A (0.66) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL5799350 0.73 HDAC8 (0.78) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7530445 0.73 NPC1 (0.60) RAB9AALDH1A1MAPTNPC1TDP1
SCHEMBL7195003 0.73 HDAC8 (0.78) RAB9AALDH1A1MAPTSMN1; SMN2NPC1

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