SCHEMBL30874461

SCHEMBL30874461

[N-]=[N+]=Nc1ccc(CCc2ccc(N=[N+]=[N-])cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP51A1 Q16850 4/20 0.49
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA5B Q9Y2D0 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ P2RY6 Q15077 1/20 0.43
▸ PTGS2 P35354 4/20 0.41
▸ DNM1 Q05193 1/20 0.37
▸ SMO Q99835 1/20 0.37
▸ PSMB8 P28062 1/20 0.37
▸ NOX1 Q9Y5S8 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ SCN1A P35498 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36

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
SCHEMBL26220277 0.87 NOS3 (0.50) CYP51A1CA1CA2CA5ACA9
SCHEMBL20552585 0.87 CYP51A1 (0.44) CYP51A1CA1CA2CA5ACA9
SCHEMBL30906028 0.87 CYP51A1 (0.44) CYP51A1CA1CA2CA5ACA9
SCHEMBL13653936 0.87 CA2 (0.46) CYP51A1CA1CA2CA5ACA9
SCHEMBL15290259 0.87 PTGS2 (0.44) CYP51A1CA1CA2CA5ACA9
SCHEMBL15590856 0.85 CYP51A1 (0.49) CYP51A1CA1CA2CA5ACA9
Hydrochloric Acid SCHEMBL19925268 0.85 NOS3 (0.52) CYP51A1CA1CA2CA5ACA9
SCHEMBL16748959 0.84 CA1 (0.58) CYP51A1CA1CA2CA5ACA9
SCHEMBL14394949 0.83 CYP3A4 (0.49) CYP51A1CA1CA2TP53PTGS2
SCHEMBL14080289 0.83 TP53 (0.43) CYP51A1CA1CA2CA5ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240357849-A1 FILM PATTERNING METHOD AND ELECTROLUMINESCENT DEVICE AND DISPLAY DEVICE INCLUDING A PATTERNED FILM SAMSUNG DISPLAY CO., LTD. (KR) 2024-10-24 — — US disclosed
CN-117858530-A Optoelectronic device and method for producing the same TCL科技集团股份有限公司 2024-04-09 — — CN disclosed
WO-2024067311-A1 PHOTOELECTRIC DEVICE AND MANUFACTURING METHOD THEREFOR TCL科技集团股份有限公司 2024-04-04 — — WO disclosed
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