SCHEMBL7584763

SCHEMBL7584763

CC(NC(=N)C(C)(C)N=NC(C)(C)C(=N)NC(C)C(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.34
RAB9A P51151 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CA2 P00918 2/20 0.30
CA1 P00915 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 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
SCHEMBL4095110 1.00 MME (0.34) MMERAB9AACECPA1ACE2
Hydrochloric Acid SCHEMBL7994497 0.72 ALDH1A1 (0.41) ALDH1A1MAPTCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL10784264 0.72 ALDH1A1 (0.41) ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL13691202 0.68 MME (0.46) MMERAB9AACECPA1ACE2
SCHEMBL2863543 0.67 MME (0.39) MMERAB9AACECPA1ACE2
SCHEMBL33800 0.67
SCHEMBL2863541 0.67 MME (0.39) MMERAB9AACECPA1ACE2
SCHEMBL21409564 0.67 ACE (0.39) MMERAB9AACECPA1ACE2
SCHEMBL22251624 0.67 MME (0.39) MMERAB9AACECPA1ACE2
SCHEMBL2797317 0.67

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
EP-0939075-B1 A novel azoamidine compound WAKO PURE CHEM IND LTD (JP) 2002-01-09 EP disclosed
US-6049003-A POLYMERIZATION INITIATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2000-04-11 US disclosed
EP-0939075-A1 A novel azoamidine compound Wako Pure Chemical Industries, Ltd. (JP) 1999-09-01 EP disclosed