SCHEMBL22260765

SCHEMBL22260765

CC(C)N(Cc1cccnc1)C(=N)NC(=N)N

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.48
▸ CHRNB2 P17787 2/20 0.45
▸ CHRNA4 P43681 2/20 0.45
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45
▸ LMNA P02545 1/20 0.41
▸ RECQL P46063 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ ADAMTS4 O75173 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
Hydrochloric Acid SCHEMBL22372373 0.99 GAA (0.47) GAACHRNB2CHRNA4FNTAFNTB
SCHEMBL27368695 0.77 KMT2A (0.56) GAACHRNB2CHRNA4FNTAFNTB
Hydrochloric Acid SCHEMBL29074406 0.71 AOC3 (0.42) MEN1KMT2A
SCHEMBL17523046 0.71 CHRNB2 (0.61) CHRNB2CHRNA4LMNARECQLRIPK1
SCHEMBL27771997 0.70 CHRNB2 (0.59) CHRNB2CHRNA4LMNAGRM2RIPK1
SCHEMBL13829049 0.69 FNTA (0.48) GAACHRNB2CHRNA4FNTAFNTB
SCHEMBL29055220 0.69 RECQL (0.62) GAARECQLKMT2A
SCHEMBL12089140 0.69 CHRNB2 (0.67) CHRNB2CHRNA4LMNAGRM2RIPK1
SCHEMBL14454647 0.68 LMNA (0.53) GAACHRNB2CHRNA4FNTAFNTB
SCHEMBL27258621 0.67 CHRNB2 (0.59) CHRNB2CHRNA4LMNAGRM2RIPK1

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-3222614-B1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC (US) 2020-07-29 — — EP disclosed
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