SCHEMBL19985948

SCHEMBL19985948

c1ccc2c(c1)sc1c2c2c3ccccc3c3ccccc3c2c2c3ccccc3n(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 4/20 0.36
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR3 P46089 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
MAPT P10636 5/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PTPN1 P18031 2/20 0.30
RAB9A P51151 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
SCHEMBL19985927 0.93 ATM (0.44) ATMKDM4EL3MBTL1TP53TNKS
SCHEMBL17246643 0.93 KDM4E (0.44) ATMKDM4EL3MBTL1TP53TNKS
SCHEMBL19985909 0.91 ATM (0.43) ATMKDM4EL3MBTL1TP53HSD17B10
SCHEMBL19985940 0.91 ATM (0.43) ATMKDM4EL3MBTL1TP53HSD17B10
SCHEMBL19985970 0.91 L3MBTL1 (0.37) ATMKDM4EL3MBTL1TP53TNKS
SCHEMBL19985919 0.91 L3MBTL1 (0.37) ATMKDM4EL3MBTL1TP53TNKS
SCHEMBL19985945 0.91 KDM4E (0.40) ATMKDM4EL3MBTL1TP53TNKS
SCHEMBL18748700 0.90 KDM4E (0.39) ATMKDM4EL3MBTL1TP53TNKS
SCHEMBL19985972 0.89 TP53 (0.35) ATMKDM4EL3MBTL1TP53TNKS
SCHEMBL19985916 0.88 KDM4E (0.40) ATMKDM4EL3MBTL1TP53HSD17B10

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