SCHEMBL11615599

SCHEMBL11615599

COCC(=O)Oc1cc(C)nn1Cc1ccc(C)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.41
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL11613372 0.92 RAB9A (0.44) RAB9AGAALMNASMN1; SMN2NPC1
SCHEMBL11614622 0.88 RAB9A (0.43) RAB9AGAALMNASMN1; SMN2NPC1
SCHEMBL11613634 0.85 RAB9A (0.40) RAB9AGAALMNASMN1; SMN2NPC1
SCHEMBL11613797 0.84 RAB9A (0.43) RAB9AGAALMNASMN1; SMN2NPC1
SCHEMBL11614319 0.83 RAB9A (0.42) RAB9AGAALMNASMN1; SMN2NPC1
SCHEMBL11618354 0.82 RAB9A (0.41) RAB9AGAALMNANPC1KMT2A
SCHEMBL11614991 0.81 SMN1; SMN2 (0.42) RAB9AGAALMNASMN1; SMN2NPC1
SCHEMBL11616942 0.80 RAB9A (0.43) RAB9AGAALMNASMN1; SMN2NPC1
SCHEMBL11613326 0.80 GAA (0.43) RAB9AGAALMNASMN1; SMN2NPC1
SCHEMBL11612686 0.79 RAB9A (0.43) RAB9AGAALMNASMN1; SMN2NPC1

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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