SCHEMBL9558198

SCHEMBL9558198

O=C(Cl)N1CCN(c2ncccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 5/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GAA P10253 2/20 0.55
SLC6A7 Q99884 3/20 0.55
LMNA P02545 2/20 0.55
MAPK1 P28482 1/20 0.55
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PKM P14618 1/20 0.53

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
SCHEMBL27580589 0.84 KDM4E (0.62) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL2856220 0.82 GAA (0.61) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL1919434 0.81 MEN1 (0.73) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL8362169 0.81 KDM4E (0.58) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL5887976 0.80 KDM4E (0.60) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL5714681 0.79 ALDH1A1 (0.70) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL6663539 0.78
SCHEMBL10498542 0.78 LMNA (0.70) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL7645352 0.78 ALDH1A1 (0.57) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL14973024 0.77 KDM4E (0.60) MEN1KMT2AKDM4EALDH1A1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 US disclosed
EP-0371390-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1990-06-06 EP disclosed