SCHEMBL23132011

SCHEMBL23132011

Brc1ccccc1Cn1c(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
TSHR P16473 4/20 0.55
LMNA P02545 3/20 0.55
HTT P42858 2/20 0.55
NPSR1 Q6W5P4 2/20 0.53
TP53 P04637 5/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.46
PDE6D O43924 1/20 0.46
ALDH2 P05091 1/20 0.46
ALDH3A1 P30838 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL8023982 0.84 TP53 (0.68) MAPTTSHRLMNAHTTNPSR1
SCHEMBL29949283 0.83 TP53 (0.70) MAPTTSHRLMNAHTTNPSR1
SCHEMBL23120167 0.83 TP53 (0.70) MAPTTSHRLMNAHTTNPSR1
SCHEMBL23132048 0.81 MAPT (0.52) MAPTTSHRLMNAHTTNPSR1
SCHEMBL24642300 0.78 PTGER4 (0.47) MAPTTSHRLMNAHTTNPSR1
SCHEMBL23132199 0.78 TP53 (0.60) MAPTTSHRLMNAHTTNPSR1
SCHEMBL23131645 0.78 TP53 (0.46) MAPTTSHRLMNAHTTNPSR1
SCHEMBL23131978 0.77 TP53 (0.47) MAPTTSHRLMNAHTTNPSR1
SCHEMBL7396158 0.77 TSHR (0.58) MAPTTSHRLMNAHTTNPSR1
SCHEMBL23131918 0.77 TP53 (0.45) MAPTTSHRLMNAHTTNPSR1

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
WO-2021053046-A1 PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-03-25 WO disclosed