SCHEMBL7989670

SCHEMBL7989670

CN1CCOC2(CCN(c3ccc(-c4nc(C(=O)O)c(-c5ccc(Cl)cc5)[nH]4)cc3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
PRKAB2 O43741 3/20 0.38
PRKAG1 P54619 3/20 0.38
PRKAA2 P54646 3/20 0.38
PRKAA1 Q13131 3/20 0.38
PRKAG3 Q9UGI9 3/20 0.38
PRKAG2 Q9UGJ0 3/20 0.38
PRKAB1 Q9Y478 3/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7977992 0.88 SIRT2 (0.46) BRD4HSD17B10SMN1; SMN2MAPT
SCHEMBL7991757 0.83 DGAT1 (0.42) BRD4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7977846 0.83 FGFR1 (0.44) BRD4ALDH1A1CYP2C9MAPK1SMN1; SMN2
SCHEMBL7988137 0.83 PRKAB2 (0.52) BRD4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7991773 0.82 PARP1 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7991843 0.80 AURKA (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7977718 0.80 PRKAB2 (0.48) BRD4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7989662 0.79 LMNA (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7989957 0.78 USP2 (0.48) BRD4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7978156 0.77 AKR1C3 (0.47) BRD4PRKAB2PRKAG1PRKAA2PRKAA1

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed