SCHEMBL11617777

SCHEMBL11617777

Cc1nn(CCOc2ccc3ccccc3c2)c(OC(=O)c2ccc(Cl)cc2)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PTGDR2 Q9Y5Y4 3/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL11612175 0.90 KMT2A (0.45) PTGER4MAPTKMT2AMEN1PTGDR2
SCHEMBL11612313 0.89 HPGD (0.48) PTGER4MAPTKMT2AMEN1TDP1
SCHEMBL11616738 0.85 MAPK1 (0.45) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL11616869 0.81 POLB (0.48) MAPTKMT2AMEN1PTGDR2CYP1A2
SCHEMBL11613653 0.81 MAPT (0.52) PTGER4MAPTKMT2AMEN1TDP1
SCHEMBL11613221 0.76 MAPT (0.44) MAPTKMT2AMEN1PTGDR2CYP1A2
SCHEMBL11615774 0.73 KMT2A (0.53) MAPTKMT2AMEN1TDP1CYP1A2
SCHEMBL11613986 0.72 KMT2A (0.53) MAPTKMT2AMEN1TDP1CYP1A2
SCHEMBL11610558 0.72 MAPT (0.50) MAPTKMT2AMEN1TDP1KDM4E
SCHEMBL11615397 0.71 LMNA (0.45) MAPTKMT2AMEN1CYP1A2POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4117143-A USED AS ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4113957-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
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