SCHEMBL27827079

SCHEMBL27827079

O=C(O)Cc1ccccc1C1=CC2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C=C5)C=C4)C=C3

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.33
▸ CXCL8 P10145 4/20 0.33
▸ PTGER1 P34995 1/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ PTGER3 P43115 1/20 0.32
▸ PTGER2 P43116 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ DUSP3 P51452 1/20 0.31
▸ PTPN5 P54829 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ BCAT2 O15382 1/20 0.31
▸ ENPP2 Q13822 1/20 0.30

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
SCHEMBL28827037 0.80 ALDH1A1 (0.35) KDM4EMAPT
SCHEMBL28599192 0.77 ABCC4 (0.41) AKR1B1CTDSP1
SCHEMBL29154463 0.77 BCAT2 (0.40) KDM4EMAPTBCAT2
SCHEMBL27742194 0.77 NR1H2 (0.35) —
SCHEMBL28019878 0.76 NR1H2 (0.37) —
SCHEMBL28035585 0.73 — —
SCHEMBL28088146 0.73 ALDH1A1 (0.34) —
SCHEMBL28267207 0.73 ALDH1A1 (0.34) —
SCHEMBL28218445 0.73 ALDH1A1 (0.34) —
SCHEMBL28874540 0.73 ABL1 (0.38) MAPT

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-102227432-A Process for preparing chlorins and their pharmaceutical uses UNIV DE COIMBRA 2011-10-26 — — CN disclosed
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