SCHEMBL1080652

SCHEMBL1080652

CCC(C(C)c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
PGR P06401 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAOB P27338 2/20 0.32
PDE4B Q07343 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL1070118 0.89 KMT2A (0.38) KMT2AALDH1A1GAATHRBPGR
SCHEMBL1178264 0.88 KMT2A (0.35) KMT2AALDH1A1GAATHRBPGR
SCHEMBL1178343 0.85 KMT2A (0.35) KMT2AALDH1A1GAATHRBPGR
SCHEMBL517440 0.82 KMT2A (0.36) KMT2AALDH1A1GAATHRBPGR
SCHEMBL7601976 0.81 KMT2A (0.35) KMT2AALDH1A1GAATHRBPGR
SCHEMBL516930 0.80 KMT2A (0.35) KMT2AALDH1A1GAATHRBMAPT
SCHEMBL517151 0.79 KMT2A (0.37) KMT2AALDH1A1GAATHRBPGR
SCHEMBL7603996 0.78 KMT2A (0.36) KMT2AALDH1A1GAATHRBPGR
SCHEMBL1069711 0.78 KMT2A (0.37) KMT2AALDH1A1GAATHRBPGR
SCHEMBL1177873 0.78 KMT2A (0.39) KMT2AALDH1A1GAATHRBPGR

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-2268625-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-01-05 EP disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO disclosed