SCHEMBL7604168

SCHEMBL7604168

O=C(O)C1CCC(CNC(=O)C(c2ccc(CN3N=C(c4ccccc4)CCC3=O)cc2)C2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
PGR P06401 1/20 0.45
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 3/20 0.41
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37

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
SCHEMBL7605776 0.94 KMT2A (0.47) KMT2APGRLMNAMEN1ALDH1A1
SCHEMBL13660621 0.89 KMT2A (0.55) KMT2APGRLMNAMEN1ALDH1A1
SCHEMBL13660622 0.87 KMT2A (0.52) KMT2APGRLMNAMEN1ALDH1A1
SCHEMBL7606103 0.87 KMT2A (0.52) KMT2APGRLMNAMEN1ALDH1A1
SCHEMBL7606071 0.87 KMT2A (0.52) KMT2APGRLMNAMEN1ALDH1A1
SCHEMBL1080269 0.85 NR1H4 (0.37) KMT2AALDH1A1TP53NR1H4CYP1A2
SCHEMBL7602899 0.83 LMNA (0.50) KMT2APGRLMNAALDH1A1TP53
SCHEMBL7604162 0.81 KMT2A (0.54) KMT2APGRLMNAMEN1ALDH1A1
SCHEMBL7605782 0.81 KMT2A (0.54) KMT2APGRLMNAMEN1ALDH1A1
SCHEMBL7601099 0.81 KMT2A (0.45) KMT2APGRLMNAALDH1A1TP53

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-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 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