SCHEMBL19986204

SCHEMBL19986204

c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4c5ccccc5oc4c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
CSF1R P07333 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
PTGER1 P34995 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL19986144 0.98 HSD17B10 (0.37) HSD17B10CASP1MEN1KMT2AMAPT
SCHEMBL16582318 0.93 HSD17B10 (0.40) HSD17B10CASP1MEN1KMT2AMAPT
SCHEMBL19986146 0.93 HSD17B10 (0.33) HSD17B10CASP1MEN1KMT2AMAPT
SCHEMBL22200033 0.91 HSD17B10 (0.38) HSD17B10CASP1MEN1KMT2AMAPT
SCHEMBL20998092 0.91 HSD17B10 (0.38) HSD17B10CASP1MEN1KMT2AMAPT
SCHEMBL22479894 0.90 CASP1 (0.36) HSD17B10CASP1MEN1KMT2AMAPT
SCHEMBL17660993 0.90 CASP1 (0.36) HSD17B10CASP1MEN1KMT2AMAPT
SCHEMBL22011581 0.88 HSD17B10 (0.36) HSD17B10CASP1MEN1KMT2AMAPT
SCHEMBL22199930 0.86 MAPT (0.36) HSD17B10CASP1MEN1KMT2AMAPT
SCHEMBL18877077 0.85 CASP1 (0.37) HSD17B10CASP1MEN1KMT2AMAPT

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