SCHEMBL12740489

SCHEMBL12740489

CCn1c(=O)c2cc3c(=O)n(-c4ccc(-n5c(=O)c6cc7c(=O)n(-c8ccc(-n9c(=O)c%10cc%11c(=O)n(CC)c(=O)c%11cc%10c9=O)cc8)c(=O)c7cc6c5=O)cc4)c(=O)c3cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ SRC P12931 2/20 0.49
▸ PGR P06401 2/20 0.47
▸ MAPK8 P45983 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 2/20 0.45
▸ GAA P10253 3/20 0.42
▸ TP53 P04637 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MPO P05164 1/20 0.37

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
SCHEMBL15957566 0.93 SMN1; SMN2 (0.50) CA12CA1CA2CA9SRC
SCHEMBL11267711 0.85 ALDH1A1 (0.58) SRCMAPK8ALDH1A1GAALMNA
SCHEMBL6675514 0.82 CA12 (0.65) CA12CA1CA2CA9PGR
SCHEMBL18211043 0.79 TDP1 (0.51) CA12CA1CA2CA9PGR
SCHEMBL18211040 0.79 TDP1 (0.51) CA12CA1CA2CA9PGR
SCHEMBL862366 0.77 ALDH1A1 (0.55) SRCMAPK8ALDH1A1GAALMNA
SCHEMBL10014682 0.77 CA12 (0.55) CA12CA1CA2CA9ALDH1A1
SCHEMBL23595299 0.75 CA12 (0.32) CA12CA1CA2CA9SRC
SCHEMBL862788 0.74 CA12 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL760529 0.74 CA12 (0.57) CA12CA1CA2CA9ALDH1A1

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-8809467-B2 Organic layer composition and liquid crystal display using the same SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-19 — — US disclosed
US-20110051059-A1 ORGANIC LAYER COMPOSITION AND LIQUID CRYSTAL DISPLAY USING THE SAME SAMSUNG DISPLAY CO., LTD (KR) 2011-03-03 — — US disclosed
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