SCHEMBL28840266

SCHEMBL28840266

CC1CCC(=O)CC1.[N-]=[N+]=Nc1ccc(C=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SMO Q99835 2/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.32
▸ PSMB8 P28062 1/20 0.32
▸ RAD51 Q06609 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ SCN3A Q9NY46 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ CYP51A1 Q16850 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
SCHEMBL15259665 0.84 SLC6A3 (0.31) CA1CA2CA5ACA9CA5B
SCHEMBL28989968 0.83 PTGS2 (0.41) CA1CA2CA5ACA9CA5B
Cyclohexanone SCHEMBL28353416 0.83 CA1 (0.38) CA1CA2CA5ACA9CA5B
SCHEMBL13475881 0.80 CA1 (0.48) CA1CA2CA5ACA9CA5B
SCHEMBL30002551 0.79 CA1 (0.52) CA1CA2CA5ACA9CA5B
SCHEMBL27547768 0.78 CA1 (0.36) CA1CA2CA5ACA9CA5B
SCHEMBL27641560 0.76 TP53 (0.36) CA1CA2CA5ACA9CA5B
SCHEMBL27547767 0.75 NPC1 (0.38) CA1CA2CA5ACA9CA5B
SCHEMBL28392156 0.71 TXNRD1 (0.34) SMOPTGS2SLC6A3
SCHEMBL13882616 0.71 MAPT (0.55) CA1CA2CA5ACA9CA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110383538-B Thin film electrode, resin layer forming ink, inorganic layer forming ink, and electrode printing apparatus 株式会社理光 2022-08-16 — — CN disclosed
Send feedback