SCHEMBL8327448

SCHEMBL8327448

CCOC(=O)c1cnc2nc(OCC)ccc2c1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 5/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 4/20 0.42
TP53 P04637 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HSP90AA1 P07900 1/20 0.41
NUDT1 P36639 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL23145042 0.91 KMT2A (0.44) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL29843352 0.91 KMT2A (0.44) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL8668728 0.86 MAPT (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL1905334 0.86 KMT2A (0.49) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL8322999 0.86 KMT2A (0.58) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL9874630 0.84 KMT2A (0.50) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL1906531 0.83 ALDH1A1 (0.44) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL8568056 0.81 KDM4E (0.49) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL11331742 0.80 MAPK8 (0.43) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL8326966 0.80 KMT2A (0.43) NPC1RAB9AKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP disclosed
EP-0618916-B1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES KNOLL AG (DE) 1998-09-23 EP disclosed
US-5780482-A TREATING RHEUMATIC DISEASES KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705260-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1996-04-10 EP disclosed
WO-1995000511-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed