SCHEMBL19986036

SCHEMBL19986036

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6sc5c43)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.31
KDM4E B2RXH2 2/20 0.30
HPGD P15428 2/20 0.30
RAB9A P51151 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PRNP P04156 1/20 0.30
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
SCHEMBL19985956 0.98 MEN1 (0.31) EGLN1
SCHEMBL17405711 0.94 EGLN1 (0.32) EGLN1KDM4EHPGDRAB9AL3MBTL1
SCHEMBL17405415 0.94 EGLN1 (0.32) EGLN1KDM4EHPGDRAB9AL3MBTL1
SCHEMBL16206308 0.94 TNKS (0.33) EGLN1KDM4EHPGDRAB9AL3MBTL1
SCHEMBL19985968 0.93 LIMK1 (0.30)
SCHEMBL21707294 0.92 TNKS (0.32) EGLN1TNKSTNKS2
SCHEMBL18086397 0.92 TNKS (0.32) EGLN1TNKSTNKS2
SCHEMBL17405850 0.90 EGLN1 (0.32) EGLN1KDM4EHPGDRAB9AL3MBTL1
SCHEMBL22011592 0.90
SCHEMBL17406046 0.90 L3MBTL1 (0.35) KDM4ERAB9AL3MBTL1NPC1LMNA

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