SCHEMBL7601254

SCHEMBL7601254

C=C(O)C(c1ccc(Cn2nc(-c3ccccc3)ccc2=O)cc1)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
HRH3 Q9Y5N1 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
HDAC1 Q13547 2/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL16457383 0.91 MEN1 (0.54) POLBHRH3MEN1KMT2AKDM4E
SCHEMBL516950 0.91 MEN1 (0.54) POLBHRH3MEN1KMT2AKDM4E
SCHEMBL7601248 0.87 MEN1 (0.49) POLBHRH3MEN1KMT2AKDM4E
SCHEMBL517331 0.84 MEN1 (0.52) POLBHRH3MEN1KMT2AKDM4E
SCHEMBL7601983 0.81 ALDH1A1 (0.41) POLBHRH3KDM4EALDH1A1SMN1; SMN2
Bicarbonate SCHEMBL16457190 0.80 MEN1 (0.46) POLBHRH3MEN1KMT2AKDM4E
Bicarbonate SCHEMBL3691123 0.78 PTGES (0.48) POLBHRH3MEN1KMT2AKDM4E
Bicarbonate SCHEMBL16457686 0.78 MEN1 (0.44) POLBHRH3MEN1KMT2AKDM4E
Bicarbonate SCHEMBL16457548 0.78 MEN1 (0.44) POLBHRH3MEN1KMT2AKDM4E
SCHEMBL7907646 0.78 MEN1 (0.46) HRH3MEN1KMT2AKDM4EHTT

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 1 patent. 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