SCHEMBL14923375

SCHEMBL14923375

CN(C(=N)NC[C@@H]1CCC[C@@H](N2CCCC2)C1)C(=O)CCCC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM5A P29375 3/20 0.35
PHF8 Q9UPP1 3/20 0.35
KDM2A Q9Y2K7 3/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM4A O75164 1/20 0.35
GLA P06280 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
FKBP1A P62942 2/20 0.31
TNKS2 Q9H2K2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30

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
SCHEMBL14923322 0.94 KMT2A (0.40) MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL14923304 0.84 KDM5A (0.44) KMT2AKDM5APHF8KDM2AKDM4C
SCHEMBL14923346 0.77 HPGD (0.39) MEN1KMT2AKDM5APHF8KDM2A
SCHEMBL14923302 0.77 HPGD (0.39) MEN1KMT2AKDM5APHF8KDM2A
SCHEMBL14923373 0.77 KDM5A (0.35) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL14923374 0.77 EPHX1 (0.42) MEN1KMT2AKDM5APHF8KDM2A
SCHEMBL14923312 0.77 HPGD (0.35) MEN1KMT2AKDM5APHF8KDM2A
SCHEMBL17551587 0.76 HPGD (0.34) MEN1KMT2AKDM5APHF8KDM2A
SCHEMBL14923233 0.74 ACKR3 (0.47) MEN1KMT2AALDH1A1
SCHEMBL17715619 0.73 CTSD (0.38) MEN1KMT2A

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
EP-1699455-B1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2013-05-08 EP disclosed