SCHEMBL741008

SCHEMBL741008

O=C(Nc1ccc2ccccc2c1)N1CCCC(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
POLB P06746 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 2/20 0.58
MAPK1 P28482 1/20 0.53
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
USP30 Q70CQ3 1/20 0.49
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.48
HTR2B P41595 2/20 0.48

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) KDM4EPOLBSMN1; SMN2MAPTMAPK1
SCHEMBL739594 0.87 KDM4E (0.57) KDM4EPOLBSMN1; SMN2MAPTMAPK1
SCHEMBL739562 0.87 KDM4E (0.61) KDM4EPOLBSMN1; SMN2MAPTMAPK1
SCHEMBL739110 0.86 KDM4E (0.67) KDM4EPOLBSMN1; SMN2MAPTMAPK1
SCHEMBL738867 0.86 KDM4E (0.55) KDM4EPOLBSMN1; SMN2MAPTMAPK1
SCHEMBL742062 0.86 KDM4E (0.55) KDM4EPOLBSMN1; SMN2MAPTMAPK1
SCHEMBL739656 0.84 MAPT (0.62) KDM4EPOLBSMN1; SMN2MAPTMAPK1
SCHEMBL742611 0.83 KDM4E (0.56) KDM4EPOLBSMN1; SMN2MAPTMAPK1
SCHEMBL13853671 0.82 POLB (0.62) KDM4EPOLBSMN1; SMN2MAPTMAPK1
SCHEMBL2514536 0.79 HTR2B (0.61) KDM4EPOLBSMN1; SMN2MAPK1CYP2D6

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