SCHEMBL11813689

SCHEMBL11813689

CSc1ccc(C(O)CNC(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ ADRB2 P07550 4/20 0.49
▸ TSHR P16473 4/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ TDP1 Q9NUW8 4/20 0.49
▸ ADRB1 P08588 3/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ CYP1A2 P05177 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HIF1A Q16665 3/20 0.49
▸ ADRB3 P13945 2/20 0.49
▸ MTOR P42345 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL11813696 0.83 MAPT (0.52) MAPTADRB2TSHRKDM4ETDP1
SCHEMBL11811349 0.79 MAPT (0.54) MAPTADRB2TSHRKDM4ETDP1
SCHEMBL11805102 0.78 ADRB2 (0.56) MAPTADRB2TSHRKDM4ETDP1
SCHEMBL11807914 0.77 ADRB2 (0.57) MAPTADRB2TSHRKDM4ETDP1
SCHEMBL11804077 0.77 ADRB2 (0.55) MAPTADRB2TSHRKDM4ETDP1
Hydrochloric Acid SCHEMBL11810811 0.77 ADRB2 (0.57) MAPTADRB2TSHRKDM4ETDP1
SCHEMBL31585223 0.76 TXNRD1 (0.42) MAPTTSHRTDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL11812398 0.76 ADRB2 (0.56) MAPTADRB2TSHRKDM4ETDP1
Oxalic Acid SCHEMBL11816918 0.75 MAPT (0.52) MAPTADRB2TSHRKDM4ETDP1
Nifenalol SCHEMBL6510064 0.75 NPC1 (0.66) MAPTADRB2TSHRKDM4ETDP1

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-3954871-A ANTIARRHYTHMIA, VASODILATOR, HYPOTENSIVE CONTINENTAL PHARMA (BE) 1976-05-04 — — US disclosed
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