SCHEMBL7989957

SCHEMBL7989957

CC1CCN(c2ccc(-c3nc(C(=O)O)c(-c4ccc(Cl)cc4)[nH]3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
TRPC3 Q13507 1/20 0.41
DGAT1 O75907 2/20 0.41
NOTUM Q6P988 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CHEK2 O96017 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PRKAB2 O43741 2/20 0.39
PRKAG1 P54619 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAG3 Q9UGI9 2/20 0.39
PRKAG2 Q9UGJ0 2/20 0.39
PRKAB1 Q9Y478 2/20 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
SCHEMBL7991701 0.89 MALT1 (0.41) DGAT1NOTUMSMN1; SMN2CHEK2LMNA
SCHEMBL7991843 0.88 AURKA (0.45) USP2DGAT1SMN1; SMN2CHEK2LMNA
SCHEMBL7978071 0.87 CHEK2 (0.39) DGAT1NOTUMSMN1; SMN2CHEK2LMNA
SCHEMBL7988137 0.87 PRKAB2 (0.52) DGAT1SMN1; SMN2CHEK2LMNAMAPT
SCHEMBL7989662 0.86 LMNA (0.45) DGAT1SMN1; SMN2CHEK2LMNAMAPT
SCHEMBL7977742 0.86 PRKD3 (0.49) SMN1; SMN2MAPTKMT2A
SCHEMBL7977506 0.86 PRKAB2 (0.43) DGAT1SMN1; SMN2KMT2APRKAB2PRKAG1
SCHEMBL7978074 0.86 DGAT1 (0.40) DGAT1NOTUMSMN1; SMN2CHEK2LMNA
SCHEMBL7991773 0.85 PARP1 (0.51) USP2SMN1; SMN2CHEK2LMNAMAPT
SCHEMBL7991757 0.85 DGAT1 (0.42) USP2DGAT1SMN1; SMN2CHEK2LMNA

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