SCHEMBL21474151

SCHEMBL21474151

N=C(/N=C(\N)c1ccc2c(c1)oc1ccccc12)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.52
TTR P02766 2/20 0.44
WDR5 P61964 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
NQO2 P16083 1/20 0.38
AHR P35869 2/20 0.38
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
TNKS O95271 1/20 0.36
PTGER4 P35408 1/20 0.36
CHEK2 O96017 1/20 0.35
PTPN1 P18031 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL27254640 0.93 HTR2B (0.56) HTR2BTTRKDM4EMEN1ALDH1A1
SCHEMBL26301877 0.91 HTR2B (0.58) HTR2BTTRKDM4EMEN1ALDH1A1
SCHEMBL27466516 0.84 PRSS1 (0.44) HTR2BTTRWDR5KDM4EMEN1
SCHEMBL22352570 0.82 HTR2B (0.42) HTR2BTTRWDR5NQO2MMP12
SCHEMBL25008980 0.81 WDR5 (0.40) HTR2BTTRWDR5ALDH1A1HPGD
SCHEMBL25505739 0.79 PLAU (0.37) HTR2BTTRWDR5KDM4EMEN1
SCHEMBL21599352 0.79 WDR5 (0.59) WDR5KDM4EMEN1MAPTKMT2A
SCHEMBL25506838 0.79 WDR5 (0.40) HTR2BTTRWDR5MEN1ALDH1A1
SCHEMBL24655499 0.78 PRSS1 (0.40) HTR2BWDR5ALDH1A1MAPTNQO2
SCHEMBL25654493 0.78 PRSS1 (0.38) HTR2BTTRWDR5NQO2CHEK2

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-3809478-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE Samsung SDI Co., Ltd. (KR) 2021-04-21 EP disclosed
EP-3553050-A1 COMPOSITION AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE Samsung SDI Co., Ltd. (KR) 2019-10-16 EP disclosed