SCHEMBL7297851

SCHEMBL7297851

CC(C)(NCc1cc(C(=O)c2ccccc2)ccc1N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 1/20 0.42
▸ ELANE P08246 9/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPK13 O15264 2/20 0.40
▸ MAPK12 P53778 2/20 0.40
▸ MAPK11 Q15759 2/20 0.40
▸ MAPK14 Q16539 2/20 0.40
▸ PPARA Q07869 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 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
SCHEMBL9583500 0.89 ELANE (0.46) PBRM1ELANEMAPK1PTGS1PTGS2
SCHEMBL9583511 0.77 ELANE (0.43) PBRM1ELANEMAPK1PTGS1PTGS2
SCHEMBL7287427 0.77 PBRM1 (0.45) PBRM1ELANEMAPK1PTGS1PTGS2
SCHEMBL3365800 0.76 PBRM1 (0.44) PBRM1MAPK1PTGS1PTGS2ATM
SCHEMBL3365804 0.76 MAPK1 (0.46) PBRM1MAPK1PTGS1PTGS2ATM
SCHEMBL7294753 0.75 MAPK1 (0.45) PBRM1ELANEMAPK1PTGS1PTGS2
SCHEMBL11618210 0.75 CDC25B (0.46) L3MBTL1MAPT
SCHEMBL10696478 0.74 PBRM1 (0.51) PBRM1MAPK1PTGS1PTGS2ATM
Methane SCHEMBL10697071 0.73 PBRM1 (0.50) PBRM1MAPK1PTGS1PTGS2ATM
SCHEMBL9583281 0.73 PPID (0.42) ELANEMAPK1PTGS1PTGS2MAPK13

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
EP-0406958-B1 Positive inotropic and lusitropic 3,5-dihydroimidazo[2,1-b]quinazolin-2(1H)-one derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-03-15 — — EP disclosed
EP-0406958-A2 Positive inotropic and lusitropic 3,5-dihydroimidazo[2,1-b]quinazolin-2(1H)-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-09 — — EP disclosed
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