SCHEMBL19986102

SCHEMBL19986102

c1ccc2c(-c3nc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7oc6c54)nc4ccccc34)cccc2c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA2A P29274 1/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL22199875 0.94 RAB9A (0.34) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL19986112 0.93 NPC1 (0.33) RAB9ANPC1KDM4EALDH1A1ADORA2A
SCHEMBL19986110 0.92 PRKDC (0.34) RAB9ANPC1KDM4EALDH1A1ADORA2A
SCHEMBL17451739 0.92 KDM4E (0.33) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL17464046 0.90 KDM4E (0.33) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL19986100 0.90 ALDH1A1 (0.35) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL22011940 0.88
SCHEMBL19986115 0.88 BRDT (0.32) RAB9ANPC1
SCHEMBL19986098 0.87 ALDH1A1 (0.43) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL19986116 0.87 PRKDC (0.34)

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