SCHEMBL7590484

SCHEMBL7590484

O=CNc1cccc2cccc(C(=O)O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.55
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
KDM5A P29375 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
PTGER4 P35408 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL6443558 0.81 PABPC1 (0.46) HSD17B10NR4A1KDM5AMEN1KMT2A
SCHEMBL501876 0.80 ALDH1A1 (0.57) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL29413047 0.80 ALDH1A1 (0.57) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL5543487 0.79 PBRM1 (0.46) HSD17B10KDM5AMEN1KMT2AKDM4E
SCHEMBL4297093 0.79 ALDH1A1 (0.51) HSD17B10KDM5AMEN1KMT2AKDM4E
SCHEMBL28172203 0.77 NPC1 (0.56) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL534334 0.77 G6PD (0.52) HSD17B10KDM5AMEN1KMT2AKDM4E
SCHEMBL29404347 0.77 HSD17B10 (0.78) HSD17B10NR4A1NR4A2NR4A3MEN1
Benzene SCHEMBL28110156 0.77 HSD17B10 (0.78) HSD17B10NR4A1NR4A2NR4A3MEN1
SCHEMBL7624693 0.77 HSD17B10 (0.78) HSD17B10NR4A1NR4A2NR4A3MEN1

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
US-20020142334-A1 Methods of detecting poly(ADP-ribose) polymerase enzymatic activity BROWN JANICE A (US) 2002-10-03 US disclosed
EP-1227322-A1 Methods of detecting poly(ADP-ribose) polymerase enzymatic activity Pfizer Products Inc. (US) 2002-07-31 EP disclosed