SCHEMBL11752029

SCHEMBL11752029

CCOC(=O)n1nc2ccc([N+](=O)[O-])cc2c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.51
▸ ELANE P08246 4/20 0.49
▸ F2 P00734 3/20 0.47
▸ PLAU P00749 3/20 0.47
▸ CTRB1 P17538 3/20 0.47
▸ POLB P06746 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ NPBWR1 P48145 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ CACNA1F O60840 1/20 0.42
▸ CACNA1D Q01668 1/20 0.42
▸ CACNA1S Q13698 1/20 0.42
▸ CACNA1C Q13936 1/20 0.42

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
SCHEMBL11757231 0.81 ELANE (0.57) MAPTELANEF2PLAUCTRB1
SCHEMBL11752052 0.80 ADORA2A (0.46) ELANEPOLBSMN1; SMN2ALDH1A1NPC1
SCHEMBL15081336 0.77 ELANE (0.58) MAPTELANEF2PLAUCTRB1
SCHEMBL11751783 0.77 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11752876 0.76 TSHR (0.47) MAPTELANEF2PLAUPOLB
SCHEMBL11814240 0.76 L3MBTL1 (0.52) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL15081337 0.75 ELANE (0.56) MAPTELANEF2PLAUCTRB1
SCHEMBL11754684 0.73 ABCB1 (0.47) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL11748058 0.72 IDE (0.47) MAPTELANEPOLBSMN1; SMN2ALDH1A1
SCHEMBL15081319 0.71 ELANE (0.53) MAPTELANEF2PLAUCTRB1

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
US-4051252-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US disclosed
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