SCHEMBL19985966

SCHEMBL19985966

c1ccc2c(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6sc5c43)nc2c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PRKDC P78527 1/20 0.32
PARP14 Q460N5 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ADK P55263 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
SCHEMBL19985978 0.92 KDM4E (0.31) KDM4EHPGDNPC1LMNATP53
SCHEMBL19986014 0.92 KDM4E (0.31) KDM4EHPGDNPC1LMNATP53
SCHEMBL19985991 0.90 HPGD (0.35) KDM4EHPGDNPC1LMNATP53
SCHEMBL19985950 0.88 NPC1 (0.30) NPC1RAB9A
SCHEMBL19985949 0.87 ALDH1A1 (0.43) KDM4EHPGDNPC1LMNATP53
SCHEMBL19986116 0.87 PRKDC (0.34) PIK3CDPIK3CBPRKDC
SCHEMBL17451700 0.87 ALOX5 (0.33) ALOX5PIK3CDPIK3CBPRKDCPARP14
SCHEMBL15138894 0.87 KDM4E (0.31) KDM4EHPGDNPC1LMNATP53
SCHEMBL19986034 0.86 PIK3CD (0.31) PIK3CDPIK3CBPRKDC
SCHEMBL19988509 0.85 PIK3CD (0.31) ALOX5PIK3CDPIK3CBPRKDC

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