SCHEMBL21583592

SCHEMBL21583592

N=C(/C=C(\N)c1ccccc1)c1ccc2c(c1)oc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.49
TTR P02766 2/20 0.47
MAPT P10636 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
MEN1 O00255 4/20 0.43
AHR P35869 2/20 0.41
PTGER4 P35408 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAOA P21397 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 2/20 0.36
PRMT1 Q99873 1/20 0.35
LMNA P02545 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL24628907 0.83 TTR (0.44) HTR2BTTRMAPTKMT2AALDH1A1
SCHEMBL20404933 0.78 ALDH1A1 (0.47) MAPTALDH1A1HPGDHSD17B10
SCHEMBL27323906 0.78 TTR (0.49) HTR2BTTRMAPTKMT2AALDH1A1
SCHEMBL17117709 0.75 ALDH1A1 (0.44) MAPTKMT2AALDH1A1HPGDRAB9A
SCHEMBL27254640 0.75 HTR2B (0.56) HTR2BTTRMAPTKMT2AALDH1A1
SCHEMBL12282269 0.75 F2 (0.52) MAPTKMT2AMEN1MAOAHSD17B10
SCHEMBL16800956 0.73 PLAU (0.58) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL29886903 0.72 HTR2B (0.68) HTR2BTTRMAPTKMT2AALDH1A1
SCHEMBL23869908 0.72 TTR (0.53) HTR2BTTRMAPTKMT2AALDH1A1
SCHEMBL19293133 0.72 GRIN2B (0.42) HTR2BTTRMAPTKMT2AALDH1A1

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
EP-3575296-B1 TRIAZINE COMPOUND, COMPOSITION AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2021-09-29 EP disclosed
EP-3575296-A1 TRIAZINE COMPOUND, COMPOSITION AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE Samsung SDI Co., Ltd. (KR) 2019-12-04 EP disclosed