SCHEMBL19802913

SCHEMBL19802913

CNC(=N)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 4/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
CDC25B P30305 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
MMP3 P08254 1/20 0.41
BCL2L1 Q07817 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
NQO2 P16083 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL19803047 0.92 PRSS1 (0.47) WDR5SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL10144666 0.86 PKM (0.46) SMN1; SMN2MAPTALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL10915092 0.84 BLM (0.48) SMN1; SMN2MAPTALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL28547567 0.84 BLM (0.48) SMN1; SMN2MAPTALDH1A1HPGDKDM4E
SCHEMBL20991532 0.83 PRSS1 (0.46) WDR5SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL10311724 0.83 ALDH1A1 (0.40) SMN1; SMN2NPC1RAB9AATMALDH1A1
SCHEMBL17196527 0.82 PRSS1 (0.58) WDR5MAPTERCC5FEN1
SCHEMBL1009424 0.80 WDR5 (0.56) WDR5SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL16439135 0.79 HDAC1 (0.48) SMN1; SMN2MAPTALDH1A1HPGDKDM4E
SCHEMBL12755248 0.77 PTPN1 (0.57) WDR5SMN1; SMN2NPC1RAB9ACTDSP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219484-A1 ORGANIC LIGHT-EMITTING DEVICE, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE LT Materials Co., Ltd. (KR) 2023-08-02 EP disclosed
WO-2023061998-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-04-20 WO disclosed
EP-3502106-B1 TRIAZINE COMPOUNDS SUBSTITUTED WITH BULKY GROUPS NOVALED GMBH (DE) 2020-09-02 EP disclosed
WO-2020122576-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, METHOD FOR MANUFACTURING SAME, AND COMPOSITION FOR ORGANIC MATERIAL LAYER 엘티소재주식회사 2020-06-18 WO disclosed
WO-2018016742-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2018-01-25 WO disclosed