SCHEMBL19985997

SCHEMBL19985997

c1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6sc5c43)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.34
CASP1 P29466 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
DHODH Q02127 2/20 0.34
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKT1 P31749 1/20 0.32

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
SCHEMBL19985985 0.98 HSD17B10 (0.36) HSD17B10CASP1HRH4DHODHKDM4E
SCHEMBL22199870 0.95 HSD17B10 (0.35) HSD17B10CASP1HRH4DHODHKDM4E
SCHEMBL19986040 0.93 TP53 (0.31) HSD17B10CASP1HRH4KDM4EHPGD
SCHEMBL16582335 0.92 HSD17B10 (0.36) HSD17B10CASP1HRH4DHODHKDM4E
SCHEMBL24171801 0.88 HSD17B10 (0.33) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL17660986 0.87 HSD17B10 (0.34) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL19784826 0.87 HSD17B10 (0.36) HSD17B10CASP1HRH4DHODHKDM4E
SCHEMBL16867159 0.87 HSD17B10 (0.37) HSD17B10CASP1HRH4DHODHKDM4E
SCHEMBL19544383 0.87 HSD17B10 (0.33) HSD17B10CASP1HRH4DHODHKDM4E
SCHEMBL22011376 0.85 HSD17B10 (0.33) HSD17B10CASP1HRH4KDM4EALDH1A1

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