SCHEMBL6185976

SCHEMBL6185976

[CH2]CN(C[CH2])C(=O)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 2/20 0.52
NAPRT Q6XQN6 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 2/20 0.47
GSK3B P49841 1/20 0.46
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
CTNNB1 P35222 3/20 0.41
WNT3A P56704 2/20 0.41
GRM4 Q14833 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL11222187 0.82 KMT2A (0.56) L3MBTL1ALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL30975214 0.81 ALDH1A1 (0.58) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL8405203 0.81 ALDH1A1 (0.58) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL27883073 0.81 CES2 (0.48) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL3677823 0.80 CES2 (0.52) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL6870340 0.79 OPRK1 (0.57) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL18211846 0.79 L3MBTL1 (0.56) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL19404527 0.79 TP53 (0.58) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL10690356 0.76 CES2 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL30975242 0.76 KDM4E (0.52) CES2CES1L3MBTL1LMNANAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929553-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2005-03-16 EP claimed
US-6251911-B1 Pyrimidine derivatives and processes for the preparation thereof NOVARTIS AG (CH) 2001-06-26 US claimed
EP-0929553-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1999-07-21 EP claimed
WO-1998014450-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1998-04-09 WO claimed
EP-0929553-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2005-03-16 EP disclosed
EP-0929553-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1999-07-21 EP disclosed
WO-1998014450-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1998-04-09 WO disclosed