SCHEMBL11613653

SCHEMBL11613653

Cc1cc(OC(=O)c2ccc(Cl)cc2)n(CCOc2ccc3ccccc3c2)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ RAB9A P51151 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RXFP1 Q9HBX9 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
SCHEMBL11615774 0.92 KMT2A (0.53) MAPTKMT2AALOX15RAB9ACYP1A2
SCHEMBL11613986 0.91 KMT2A (0.53) MAPTKMT2AALOX15RAB9ACYP1A2
SCHEMBL11610558 0.90 MAPT (0.50) MAPTKMT2AALOX15RAB9AMEN1
SCHEMBL11615175 0.90 MAPT (0.52) MAPTKMT2AALOX15RAB9AMEN1
SCHEMBL11618012 0.87 KMT2A (0.42) MAPTKMT2AALOX15RAB9AMEN1
SCHEMBL11615128 0.86 KMT2A (0.47) MAPTKMT2AALOX15RAB9ACYP1A2
SCHEMBL11612294 0.84 RAB9A (0.48) MAPTKMT2AALOX15RAB9AMEN1
SCHEMBL11615378 0.81 KMT2A (0.49) MAPTKMT2AALOX15RAB9ACYP1A2
SCHEMBL11617777 0.81 PTGER4 (0.41) MAPTKMT2ACYP1A2CYP2C9MEN1
SCHEMBL11615840 0.80 TDP1 (0.48) MAPTKMT2ARAB9AMEN1TDP1

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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