SCHEMBL12438719

SCHEMBL12438719

O=C1NC(=O)C2C3CCCCCC3C12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
DAO P14920 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9530922 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL17119223 0.80 ALDH1A1 (0.32) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL3198101 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL24394699 0.75 MAPT (0.39) MAPTKMT2ALMNAPOLBGAA
SCHEMBL9527558 0.74 MAPT (0.45) MAPTALDH1A1KMT2A
SCHEMBL9063186 0.72 MAPT (0.43) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL31265110 0.72 ALDH1A1 (0.41) ALDH1A1
SCHEMBL9526575 0.70 POLB (0.34) MAPTALDH1A1KMT2APOLBGAA
SCHEMBL22260783 0.70 ALDH1A1 (0.45) ALDH1A1KMT2APOLBGAASMN1; SMN2
SCHEMBL11849287 0.70 KDM4E (0.34) LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2357181-A1 2,4-Diaminopyrimidines as inhibitors of cell cycle kinases Boehringer Ingelheim International GmbH (DE) 2011-08-17 EP disclosed
WO-2007132010-A1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 WO disclosed