SCHEMBL19985986

SCHEMBL19985986

c1ccc2c(c1)sc1cccc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6sc5c43)c12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.35
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
TP53 P04637 1/20 0.31
PTPN1 P18031 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
DUSP3 P51452 1/20 0.31
BLM P54132 1/20 0.31
PTPN5 P54829 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN11 Q06124 1/20 0.31
MCL1 Q07820 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL19985961 0.89 GPR3 (0.35) GPR3TNKSTNKS2TP53MAPT
SCHEMBL19985928 0.88 TDP1 (0.36) GPR3TNKSTNKS2TP53MAPT
SCHEMBL19985915 0.87 ATM (0.41) TNKSTNKS2TP53MAPTMEN1
SCHEMBL19985910 0.86 ESR2 (0.32)
SCHEMBL19997987 0.85 ATM (0.41) GPR3MEN1KMT2A
SCHEMBL18748663 0.84 TNKS (0.38) GPR3TNKSTNKS2TP53PTPN1
SCHEMBL20232373 0.84 GPR3 (0.43) GPR3TNKSTNKS2PTPN1MAPT
SCHEMBL19986180 0.83 ATM (0.41) TNKSTNKS2TP53MAPTMEN1
SCHEMBL19985927 0.83 ATM (0.44) GPR3TNKSTNKS2TP53MAPT
SCHEMBL19985971 0.83 TNKS (0.34) TNKSTNKS2PTPN1DUSP3

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