SCHEMBL739110

SCHEMBL739110

Cc1cc(C)cc(NC(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
POLB P06746 5/20 0.65
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2C19 P33261 3/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 1/20 0.51
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL741494 0.89 KDM4E (0.65) KDM4EPOLBMAPK1SMN1; SMN2CYP1A2
SCHEMBL739562 0.87 KDM4E (0.61) KDM4EPOLBMAPK1SMN1; SMN2CYP1A2
SCHEMBL741008 0.86 KDM4E (0.60) KDM4EPOLBMAPK1SMN1; SMN2CYP1A2
SCHEMBL13853671 0.84 POLB (0.62) KDM4EPOLBMAPK1SMN1; SMN2CYP1A2
SCHEMBL739594 0.83 KDM4E (0.57) KDM4EPOLBMAPK1SMN1; SMN2CYP1A2
SCHEMBL742611 0.83 KDM4E (0.56) KDM4EPOLBMAPK1SMN1; SMN2CYP1A2
SCHEMBL738867 0.82 KDM4E (0.55) KDM4EPOLBMAPK1SMN1; SMN2CYP1A2
SCHEMBL742062 0.82 KDM4E (0.55) KDM4EPOLBMAPK1SMN1; SMN2CYP1A2
SCHEMBL739656 0.80 MAPT (0.62) KDM4EPOLBMAPK1SMN1; SMN2CYP1A2
SCHEMBL740765 0.80 POLB (0.78) KDM4EPOLBMAPK1SMN1; SMN2CYP1A2

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-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed