SCHEMBL27809098

SCHEMBL27809098

CCCN(CCC)Cc1cc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)ccc1OC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.33
▸ GABRB2 P47870 4/20 0.33
▸ ALOX5 P09917 2/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ BCHE P06276 2/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.30
▸ TLR8 Q9NR97 1/20 0.30
▸ TLR7 Q9NYK1 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
SCHEMBL29915582 0.81 GABRA1 (0.36) GABRA1GABRB2ALOX5CNR2GABRA5
SCHEMBL2951395 0.81 ALOX5 (0.43) ALOX5
SCHEMBL9429841 0.79 MGAM (0.39) ALOX5
SCHEMBL27765963 0.79 KDM4E (0.44) —
SCHEMBL27829596 0.77 ALDH1A1 (0.45) —
SCHEMBL5576187 0.76 NOX1 (0.46) —
SCHEMBL28418538 0.74 CNR2 (0.35) CNR2
SCHEMBL2950385 0.74 BRD4 (0.40) —
SCHEMBL31471705 0.74 CDC25A (0.37) ALOX5TLR8TLR7
SCHEMBL29148788 0.73 AMY1A (0.43) ALOX5

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
CN-102068428-B Dihydroporphin photosensitizer and preparation and application thereof UNIV DONGHUA 2012-11-07 — — CN disclosed
CN-102068428-A Dihydroporphin photosensitizer and preparation and application thereof UNIV DONGHUA 2011-05-25 — — CN disclosed
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