SCHEMBL20124162

SCHEMBL20124162

CNC1CCN(C(=O)CNC(=N)N)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.39
EPHX2 P34913 4/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
NPC1 O15118 1/20 0.34
PPID Q08752 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM1A O60341 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL16687713 0.84 ALDH1A1 (0.51) SMN1; SMN2LMNAALDH1A1MEN1TSHR
SCHEMBL8342117 0.82 FAP (0.45) SMN1; SMN2LMNAEPHX2ALDH1A1MEN1
SCHEMBL11981577 0.81 SMN1; SMN2 (0.41) SMN1; SMN2LMNAEPHX2ALDH1A1MEN1
SCHEMBL11960546 0.80 LMNA (0.47) SMN1; SMN2LMNAEPHX2ALDH1A1MEN1
SCHEMBL8486131 0.80 EPHX2 (0.44) EPHX2ALDH1A1NPC1KDM4EKDM1A
SCHEMBL15624816 0.77 L3MBTL1 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL13866398 0.76 CPN1 (0.46) EPHX2ALDH1A1NPC1KDM1AEPHX1
Hydrochloric Acid SCHEMBL15808554 0.75 CPN1 (0.45) EPHX2ALDH1A1NPC1KDM1AEPHX1
SCHEMBL8498758 0.75 KDM1A (0.44) SMN1; SMN2EPHX2ALDH1A1ITGB3ITGA2B
SCHEMBL8485640 0.74 EPHX2 (0.45) EPHX2ALDH1A1NPC1KDM1AEPHX1

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-2488532-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-05-09 EP disclosed