SCHEMBL25008980

SCHEMBL25008980

N=C(/N=C(\N)c1cccc2oc3ccccc3c12)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
NQO2 P16083 3/20 0.38
HTR2B P41595 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN1 P18031 2/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
GRIN2B Q13224 1/20 0.34
KLKB1 P03952 1/20 0.34
TNKS O95271 1/20 0.33
CDC14B O60729 1/20 0.32
CDC14A Q9UNH5 1/20 0.32
TTR P02766 2/20 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
SCHEMBL24907678 0.92 ALDH1A1 (0.43) ALDH1A1GLAHTR2BHPGDSMN1; SMN2
SCHEMBL25654493 0.92 PRSS1 (0.38) WDR5NQO2HTR2BPRSS1PRSS2
SCHEMBL25506838 0.90 WDR5 (0.40) WDR5ALDH1A1GLANQO2HTR2B
SCHEMBL24655499 0.89 PRSS1 (0.40) WDR5ALDH1A1GLANQO2HTR2B
SCHEMBL23820566 0.88 AHR (0.38) WDR5ALDH1A1HTR2BSMN1; SMN2TNKS
SCHEMBL23820419 0.87 ALOX5 (0.38) WDR5ALDH1A1GLANQO2HPGD
SCHEMBL24657333 0.87 HTR2B (0.35) WDR5ALDH1A1GLAHTR2BHPGD
SCHEMBL25506752 0.87 HTR2B (0.37) ALDH1A1GLAHTR2BHPGDPTPN1
SCHEMBL24657618 0.86 AHR (0.38) WDR5ALDH1A1GLANQO2HPGD
SCHEMBL25506602 0.85 HTR2B (0.36) WDR5ALDH1A1GLAHTR2BHPGD

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-4289836-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME Lg Chem, Ltd. (KR) 2023-12-13 EP disclosed
WO-2023014004-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-02-09 WO disclosed