SCHEMBL738867

SCHEMBL738867

O=C(Nc1ccc2c(c1)OCO2)N1CCCC(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
POLB P06746 3/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 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
SCHEMBL742062 0.94 KDM4E (0.55) KDM4EPOLBSMN1; SMN2MAPTUSP2
SCHEMBL741008 0.86 KDM4E (0.60) KDM4EPOLBSMN1; SMN2MAPTMAPK1
SCHEMBL741494 0.84 KDM4E (0.65) KDM4EPOLBSMN1; SMN2MAPTMAPK1
SCHEMBL739594 0.83 KDM4E (0.57) KDM4EPOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL739562 0.83 KDM4E (0.61) KDM4EPOLBSMN1; SMN2MAPTMAPK1
SCHEMBL739110 0.82 KDM4E (0.67) KDM4EPOLBSMN1; SMN2MAPTMAPK1
SCHEMBL739656 0.80 MAPT (0.62) KDM4EPOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL742611 0.79 KDM4E (0.56) KDM4EPOLBSMN1; SMN2MAPTMAPK1
SCHEMBL13853671 0.78 POLB (0.62) KDM4EPOLBSMN1; SMN2MAPTMAPK1
SCHEMBL2520100 0.76 HTR2B (0.61) KDM4EPOLBSMN1; SMN2MAPK1CYP1A2

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