SCHEMBL28784148

SCHEMBL28784148

CN(C(N)=NCN)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 10/20 0.49
▸ FAAH O00519 1/20 0.41
▸ PHGDH O43175 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38

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
SCHEMBL11836941 0.78 SIGMAR1 (0.53) SIGMAR1FAAHPHGDHMGLLCA12
SCHEMBL11836951 0.78 SIGMAR1 (0.53) SIGMAR1FAAHPHGDHMGLLCA12
SCHEMBL23517155 0.78 SIGMAR1 (0.53) SIGMAR1FAAHPHGDHMGLLCA12
SCHEMBL966681 0.69 KMT2A (0.50) FAAHPHGDHMGLLCA12CA1
SCHEMBL1743264 0.69 HTR3E (0.60) SIGMAR1FAAHPHGDHMGLLCA12
SCHEMBL2232383 0.69 ALDH1A1 (0.60) SIGMAR1FAAHPHGDHMGLLCA12
SCHEMBL1630634 0.69 KMT2A (0.50) FAAHPHGDHMGLLCA12CA1
SCHEMBL4294754 0.68 KMT2A (0.54) MEN1KMT2A
Ammonia Solution, Strong SCHEMBL28286729 0.67 KMT2A (0.48) FAAHPHGDHMGLLCA12CA1
Carbamic Acid SCHEMBL11482908 0.67 KMT2A (0.48) SIGMAR1FAAHPHGDHMGLLCA12

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
CN-101541742-A Trypsin-like serine protease inhibitors, and their preparation and use CURACYTE DISCOVERY GMBH (DE) 2009-09-23 — — CN disclosed
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