SCHEMBL29959799

SCHEMBL29959799

Cc1cc(NCCN(C)C)c([N+](=O)[O-])cc1C

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ BCHE P06276 2/20 0.51
▸ ACHE P22303 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ RECQL P46063 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ KAT2B Q92831 3/20 0.43
▸ HTT P42858 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ RAD52 P43351 1/20 0.41

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
SCHEMBL14335786 1.00 ALDH1A1 (0.63) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL3633382 0.82 HCAR3 (0.56) ALDH1A1BCHEACHESMN1; SMN2LMNA
SCHEMBL8985656 0.82 KAT2B (0.64) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL9725410 0.82 ALDH1A1 (0.72) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL9725442 0.81 ALDH1A1 (0.59) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL29959789 0.79 MAPT (0.60) ALDH1A1SMN1; SMN2LMNARECQLTDP1
SCHEMBL14334902 0.79 MAPT (0.60) ALDH1A1SMN1; SMN2LMNARECQLTDP1
SCHEMBL1594797 0.79 ALDH1A1 (0.72) ALDH1A1NPSR1BCHEACHESMN1; SMN2
SCHEMBL12959657 0.78 KAT2B (0.69) ALDH1A1LMNAMAPTKAT2B
SCHEMBL15666204 0.78 LMNA (0.79) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1

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-3586632-B1 10H-BENZO[G]PTERIDINE-2,4-DIONE DERIVATIVES, METHOD FOR PRODUCING SAME AND USE OF SAME TRIOPTOTEC GMBH (DE) 2022-09-28 — — EP disclosed
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