SCHEMBL19985972

SCHEMBL19985972

c1ccc2c(c1)sc1c2c2c3ccccc3c3ccccc3c2c2c3ccccc3n(-c3ccc4c5ccccc5c5ccccc5c4c3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.35
MAPT P10636 5/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
HCRTR1 O43613 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GPR3 P46089 1/20 0.31
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ESR2 Q92731 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL17405423 0.95 TP53 (0.35) TP53MAPTRXFP1TNKSTNKS2
SCHEMBL17405706 0.95 TP53 (0.35) TP53MAPTRXFP1TNKSTNKS2
SCHEMBL19985946 0.92 MAPT (0.38) TP53MAPTRXFP1TNKSTNKS2
SCHEMBL19985960 0.92 GPR3 (0.36) TP53MAPTRXFP1TNKSTNKS2
SCHEMBL24172271 0.91 TP53 (0.32) TP53MAPTRXFP1ALDH1A1HPGD
SCHEMBL17405811 0.91 ATM (0.38) TP53MAPTRXFP1TNKSTNKS2
SCHEMBL17406041 0.91 ATM (0.38) TP53MAPTRXFP1TNKSTNKS2
SCHEMBL17405839 0.90 TP53 (0.36) TP53MAPTRXFP1TNKSTNKS2
SCHEMBL19985929 0.90 TP53 (0.33) TP53MAPTRXFP1ALDH1A1
SCHEMBL19985908 0.90 TP53 (0.32) TP53MAPTRXFP1KDM4EATM

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-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed