SCHEMBL13325792

SCHEMBL13325792

Cc1ccc(-c2cccc3nc(-c4ccccc4)c(-c4ccccc4)n23)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.51
▸ AKT2 P31751 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ EGLN2 Q96KS0 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ ALDH1A3 P47895 1/20 0.42
▸ PKM P14618 2/20 0.42
▸ PKLR P30613 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PDE10A Q9Y233 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13325940 0.83 TDP1 (0.47) AKT1AKT2TDP1SLC2A1ALDH1A3
SCHEMBL13325764 0.76 ALDH1A1 (0.61) AKT1AKT2TDP1TP53MAPT
SCHEMBL25790017 0.75 ALDH1A1 (0.59) AKT1AKT2TDP1TP53MAPT
SCHEMBL28880772 0.73 NUDT1 (0.50) AKT1AKT2EGLN2MAPTNPC1
SCHEMBL13325766 0.73 AKT1 (0.69) AKT1AKT2TDP1TP53GAA
SCHEMBL13325801 0.72 KDR (0.38) AKT1AKT2L3MBTL1
SCHEMBL29822721 0.71 NLRP3 (0.50) EGLN2TP53MAPTPKMALDH1A1
SCHEMBL29822729 0.71 ADORA3 (0.49) TP53MAPTPKMALDH1A1NPC1
SCHEMBL16659834 0.69 TDP1 (0.79) TDP1MAPTSLC2A1ALDH1A3ALDH1A1
SCHEMBL26867246 0.69 TDP1 (0.79) TDP1MAPTSLC2A1ALDH1A3ALDH1A1

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
US-7714319-B2 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2010-05-11 — — US disclosed
US-20070120111-A1 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2007-05-31 — — US disclosed
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