SCHEMBL31663875

SCHEMBL31663875

c1cc2c3c(cccc3c1)OCN2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.41
KMT2A Q03164 10/20 0.41
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPT P10636 5/20 0.38
APAF1 O14727 2/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAD52 P43351 1/20 0.35
HPGD P15428 5/20 0.35
HSD17B10 Q99714 4/20 0.35
NR4A1 P22736 3/20 0.35
USP2 O75604 2/20 0.35
TSHR P16473 2/20 0.35
APP P05067 1/20 0.35
SNCA P37840 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 2/20 0.34

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
SCHEMBL25349480 1.00 MEN1 (0.41) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL335978 0.76
SCHEMBL27872 0.76
SCHEMBL9327588 0.73 GAA (0.38) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL30523874 0.69 ABCG2 (0.57) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL339574 0.69 MEN1 (0.52) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL14373225 0.66 HSD17B10 (0.59) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL7604368 0.64 PARP1 (0.55) MEN1KMT2ANPC1KDM4EALDH1A1
Oxazolidine SCHEMBL21810919 0.63 OXTR (0.38) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL8470138 0.62 KDM4E (0.52) MEN1KMT2ANPC1KDM4EALDH1A1

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-4229145-B1 COMPOUNDS COMPRISING HETEROATOMS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2025-07-23 EP disclosed