SCHEMBL11496174

SCHEMBL11496174

CCc1ccc(Nc2cccc3c2C(=O)c2cccc(Nc4ccccc4)c2C3=O)c(CC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY4 P51582 8/20 0.47
▸ CYP1A2 P05177 2/20 0.42
▸ MAPK1 P28482 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ P2RY2 P41231 4/20 0.41
▸ EGFR P00533 1/20 0.41
▸ PABPC1 P11940 1/20 0.41
▸ APAF1 O14727 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ P2RY12 Q9H244 5/20 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
SCHEMBL375206 0.82 TDP1 (0.52) P2RY4CYP1A2MAPK1MAPTRAB9A
SCHEMBL2612577 0.79 MAPT (0.56) P2RY4CYP1A2MAPK1MAPTRAB9A
SCHEMBL375141 0.78 TDP1 (0.51) P2RY4CYP1A2MAPK1MAPTRAB9A
SCHEMBL3975751 0.77 P2RY4 (0.62) P2RY4CYP1A2MAPK1MAPTRAB9A
SCHEMBL9754272 0.76 MAPT (0.53) P2RY4CYP1A2MAPK1MAPTRAB9A
SCHEMBL625150 0.76 MAPT (0.62) P2RY4CYP1A2MAPK1MAPTRAB9A
SCHEMBL12849135 0.76 P2RY4 (0.50) P2RY4CYP1A2MAPK1MAPTRAB9A
SCHEMBL11605377 0.75 MAPT (0.53) P2RY4CYP1A2MAPK1MAPTRAB9A
SCHEMBL11604892 0.74 MAPT (0.55) P2RY4CYP1A2MAPK1MAPTRAB9A
SCHEMBL9309333 0.74 MAPT (0.51) P2RY4CYP1A2MAPK1MAPTRAB9A

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
US-4191679-A ANTHRAQUINONE DYES FUJI PHOTO FILM CO., LTD. (JP) 1980-03-04 — — US disclosed
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