SCHEMBL28786393

SCHEMBL28786393

CN(NC(N)=O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.45
▸ F7 P08709 1/20 0.44
▸ F3 P13726 1/20 0.44
▸ SARM1 Q6SZW1 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ SIRT3 Q9NTG7 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ SIRT4 Q9Y6E7 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KCNA5 P22460 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL1577273 0.81 NOTUM (0.50) RECQLF7F3SARM1SIRT2
Hydrochloric Acid SCHEMBL17785084 0.79 NOTUM (0.49) RECQLF7F3SARM1SIRT2
SCHEMBL1520692 0.78 HTT (0.53) SIRT2GAAHPGDALDH1A1RAB9A
SCHEMBL8980796 0.74 CHRNB2 (0.42) RECQLGAAHPGDKCNA5ALDH1A1
SCHEMBL17968066 0.73 F7 (0.44) RECQLF7F3SARM1SIRT2
SCHEMBL5633185 0.73 F7 (0.52) RECQLF7F3SARM1SIRT2
SCHEMBL8803617 0.72 F7 (0.43) RECQLF7F3SARM1SIRT2
SCHEMBL965251 0.72 NOTUM (0.51) F7F3SARM1SIRT2SIRT6
SCHEMBL3576501 0.72 NOTUM (0.51) F7F3SARM1SIRT2SIRT6
SCHEMBL8666511 0.72 F7 (0.50) RECQLF7F3SARM1SIRT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101684084-A Tetracycline compounds containing carbamido SHANDONG XUANZHU MEDICINE TECH 2010-03-31 — — CN claimed
CN-101684084-A Tetracycline compounds containing carbamido SHANDONG XUANZHU MEDICINE TECH 2010-03-31 — — CN disclosed
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