SCHEMBL29901368

SCHEMBL29901368

CCCCOc1ccccc1-c1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3.[Cu]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 14/20 0.48
▸ PDE4A P27815 6/20 0.48
▸ PDE4B Q07343 6/20 0.48
▸ PDE4C Q08493 6/20 0.48
▸ PDE4D Q08499 6/20 0.48
▸ GCGR P47871 3/20 0.41
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ MAPK14 Q16539 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ PDE6D O43924 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ PDE9A O76083 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 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
SCHEMBL29140531 0.83 PDE5A (0.43) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL3276862 0.82 ALDH1A1 (0.43) PDE5AKDM4EMEN1ALDH1A1MAPT
SCHEMBL28478667 0.81 ALDH1A1 (0.43) PDE5AKDM4EMEN1ALDH1A1MAPT
SCHEMBL27603604 0.81 ALDH1A1 (0.43) PDE5AKDM4EMEN1ALDH1A1MAPT
SCHEMBL27742193 0.79 TLR8 (0.35) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28418538 0.79 CNR2 (0.35) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28436254 0.77 HPGD (0.41) CYP1A2CYP2C9CYP2C19CYP19A1KDM4E
SCHEMBL28493239 0.77 HPGD (0.41) CYP1A2CYP2C9CYP2C19CYP19A1KDM4E
SCHEMBL21932592 0.77 PDE5A (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28202581 0.76 STAT3 (0.41) PDE5APDE4APDE4BPDE4CPDE4D

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-110945341-B Resonant sensor 富士胶片株式会社 2022-09-09 — — CN disclosed
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