SCHEMBL21379799

SCHEMBL21379799

NCCNc1nc(NC(=O)c2cccnc2)nc2[nH]cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.42
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL2157166 0.82 HTT (0.48) HTTHDAC1HDAC3HDAC2LMNA
Niacinamide SCHEMBL10685138 0.80 F7 (0.48) HDAC1HDAC3HDAC2PIM1PIM3
SCHEMBL8121389 0.74 BRD4 (0.51) HTTHPGDMEN1KMT2ASTAT3
SCHEMBL11591966 0.71 LMNA (0.69) HTTHDAC1HDAC3HDAC2LMNA
SCHEMBL7490888 0.71 HDAC3 (0.46) HTTHDAC1HDAC3HDAC2LMNA
SCHEMBL3802970 0.70 STAT3 (0.47) HTTHDAC1HDAC3HDAC2LMNA
SCHEMBL30013868 0.70 STAT3 (0.47) HTTHDAC1HDAC3HDAC2LMNA
SCHEMBL11591466 0.68 HDAC1 (0.60) HTTHDAC1HDAC3HDAC2LMNA
SCHEMBL11591085 0.68 HDAC1 (0.60) HTTHDAC1HDAC3HDAC2LMNA
Niacinamide SCHEMBL10685143 0.68 MKNK1 (0.52) HTTHDAC1HDAC2LMNAHSD17B10

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
US-10961565-B2 DNA logic-gated proximity assembly circuit for biochemical sensing RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-03-30 — — US disclosed
US-20190292580-A1 DNA LOGIC-GATED PROXIMITY ASSEMBLY CIRCUIT FOR BIOCHEMICAL SENSING RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-09-26 — — US disclosed
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