SCHEMBL27405564

SCHEMBL27405564

CN(C)N=Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.66
▸ KMT2A Q03164 7/20 0.66
▸ MAPT P10636 6/20 0.66
▸ RAB9A P51151 6/20 0.66
▸ NPC1 O15118 5/20 0.66
▸ MAPK1 P28482 4/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ TNNI3 P19429 1/20 0.66
▸ TNNT2 P45379 1/20 0.66
▸ TNNC1 P63316 1/20 0.66
▸ KEAP1 Q14145 1/20 0.66
▸ NFE2L2 Q16236 1/20 0.66
▸ ALDH1A1 P00352 5/20 0.58
▸ POLB P06746 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ LMNA P02545 2/20 0.53
▸ NOS1 P29475 4/20 0.50
▸ MMP14 P50281 1/20 0.48
▸ CASP3 P42574 2/20 0.47
▸ SENP8 Q96LD8 2/20 0.47

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
SCHEMBL3282776 0.81 MEN1 (0.61) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL3282773 0.81 MEN1 (0.61) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7987027 0.79 MAPT (0.64) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL2384567 0.79 MAPT (0.64) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL2384564 0.79 MAPT (0.64) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7987030 0.79 MAPT (0.64) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL1304459 0.79 ALDH1A1 (0.73) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL1304458 0.79 ALDH1A1 (0.73) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL2474219 0.78 LMNA (0.61) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL2474220 0.78 LMNA (0.61) MEN1KMT2AMAPTRAB9ANPC1

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-1105453-A Internal cause of cancer and measuring method thereof LU HONGSHE (CN) 1995-07-19 — — CN disclosed
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