SCHEMBL7434667

SCHEMBL7434667

CNCc1ccccc1-n1cccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HCRTR1 O43613 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A4 P31645 5/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
LTA4H P09960 1/20 0.33
KMT2A Q03164 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
HTR2A P28223 2/20 0.32
IFNAR1 P17181 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
MCL1 Q07820 1/20 0.31
MGLL Q99685 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL8980778 0.81 LMNA (0.40) LMNAGLAMAPTALDH1A1HCRTR1
SCHEMBL8981227 0.75 CYP1A2 (0.43) LMNAGLAMAPTALDH1A1HCRTR1
SCHEMBL7434662 0.73 LOXL2 (0.49) LMNAGLAMAPTALDH1A1HCRTR1
SCHEMBL9221175 0.71 GLA (0.42) LMNAGLAMAPTALDH1A1HCRTR1
SCHEMBL15561132 0.67 JAK2 (0.50) LMNAGLAMAPTALDH1A1KDM4E
SCHEMBL12500261 0.66 CYP19A1 (0.47) MAPTALDH1A1RAB9ASLC6A4SLC6A2
SCHEMBL31265560 0.66 SLC6A4 (0.57) MAPTALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL8016874 0.66 SLC6A4 (0.57) MAPTALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL24352674 0.65 NPC1 (0.47) LMNAMAPTALDH1A1KMT2AKDM4E
SCHEMBL27344119 0.64 LMNA (0.34) LMNAGLAMAPTALDH1A1HCRTR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628559-B1 Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF LILLY GMBH (DE) 2002-04-03 EP disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed