SCHEMBL9800957

SCHEMBL9800957

C=Cc1ccc(COc2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.44
▸ PRMT5 O14744 9/20 0.42
▸ TOP1 P11387 1/20 0.41
▸ CYCS P99999 2/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ STAT3 P40763 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ IKBKE Q14164 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ SIRT3 Q9NTG7 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ GSTP1 P09211 1/20 0.39

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
SCHEMBL9800954 0.87 PDE5A (0.39) TOP1CYCSPTPN1STAT3STAT1
SCHEMBL9800961 0.82 STAT3 (0.40) TOP1CYCSPTPN1STAT3STAT1
SCHEMBL29257448 0.80 TOP1 (0.55) TOP1CYCS
SCHEMBL30382242 0.79 TOP1 (0.54) TOP1CYCS
SCHEMBL12459750 0.79 GSTP1 (0.58) HPGDPTPN1GSTP1
SCHEMBL28608830 0.78 GSTP1 (0.48) HPGDPTPN1GSTP1
SCHEMBL2429223 0.76 TOP1 (0.48) TOP1CYCS
SCHEMBL26472134 0.75 TERT (0.44) TOP1CYCS
SCHEMBL1480744 0.75 LMNA (0.55) HPGDPTPN1SIRT2SIRT1SIRT3
SCHEMBL16978936 0.74 TOP1 (0.47) TOP1CYCSSTAT3STAT1

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
JP-3095183-A — — None — — JP disclosed
JP-H0395183-A PORPHYRIN DERIVATIVE WITH POLYMERIZABLE GROUP AND ITS PRODUCTION TOKUYAMA SODA CO LTD 1991-04-19 — — JP disclosed
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