SCHEMBL26048600

SCHEMBL26048600

CCOCc1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.41
▸ CYP51A1 Q16850 2/20 0.41
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ SCN1A P35498 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ SMO Q99835 3/20 0.35
▸ NOX1 Q9Y5S8 1/20 0.33
▸ DNM1 Q05193 1/20 0.32
▸ TSHR P16473 1/20 0.31

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
SCHEMBL18074915 0.88 CYP51A1 (0.45) PTGS2CYP51A1CA1CA2CA5A
SCHEMBL22683759 0.81 CYP51A1 (0.42) PTGS2CYP51A1CA1CA2CA5A
SCHEMBL13455265 0.78 PLAU (0.47) PTGS2CYP51A1CA1CA2CA5A
SCHEMBL13637567 0.78 HDAC1 (0.44) TSHR
SCHEMBL23157402 0.77 IDO1 (0.48) CYP51A1CA1CA2CA5ACA9
SCHEMBL133476 0.77 TSHR (0.48) CA1CA2CA9TSHR
SCHEMBL15290259 0.75 PTGS2 (0.44) PTGS2CYP51A1CA1CA2CA5A
SCHEMBL15617806 0.74 CYP51A1 (0.46) PTGS2CYP51A1CA1CA2CA5A
SCHEMBL15617808 0.74 CYP51A1 (0.46) PTGS2CYP51A1CA1CA2CA5A
SCHEMBL13449655 0.74 ALDH1A1 (0.53) PTGS2CYP51A1CA1CA2CA5A

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
US-20230251257-A1 SUBSTRATE FOR IMMOBILIZING SUBSTANCE, AND USE THEREOF R-NANOBIO CO. LTD. (JP) 2023-08-10 — — US disclosed
US-20230251257-A1 SUBSTRATE FOR IMMOBILIZING SUBSTANCE, AND USE THEREOF R-NANOBIO CO. LTD. (JP) 2023-08-10 — — US disclosed
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