SCHEMBL19985954

SCHEMBL19985954

c1ccc2c(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6sc5c43)nc2c1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL17660894 0.95 ALDH1A1 (0.32) ALDH1A1L3MBTL1KDM4EMEN1POLB
SCHEMBL22199911 0.95 PRKDC (0.33) ALDH1A1L3MBTL1KDM4EMEN1POLB
SCHEMBL19985980 0.95 KDM4E (0.31) ALDH1A1L3MBTL1KDM4EMAPTHPGD
SCHEMBL17661392 0.91 ESR2 (0.32) ALDH1A1L3MBTL1KDM4EMEN1POLB
SCHEMBL17660970 0.91 ALDH1A1 (0.32) ALDH1A1L3MBTL1KDM4EMEN1POLB
SCHEMBL19985981 0.90 HPGD (0.35) ALDH1A1L3MBTL1KDM4EPOLBSMN1; SMN2
SCHEMBL17660901 0.90 ESR2 (0.32) ALDH1A1L3MBTL1KDM4EMEN1POLB
SCHEMBL22012052 0.89
SCHEMBL22894027 0.89
SCHEMBL19986013 0.88 ALDH1A1 (0.34) ALDH1A1L3MBTL1KDM4EPOLBMAPT

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