SCHEMBL11070263

SCHEMBL11070263

CC(=O)OCC(=Cc1ccc(Cl)cc1Cl)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
USP2 O75604 1/20 0.47
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 4/20 0.38
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
S1PR4 O95977 1/20 0.37
TP53 P04637 2/20 0.37

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
SCHEMBL11072993 0.84 EGFR (0.40) HPGDSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL11080235 0.81 FBP1 (0.50) HPGDUSP2SMN1; SMN2MAPTLMNA
SCHEMBL11074185 0.80 FBP1 (0.55) HPGDUSP2LMNAALDH1A1HSP90AA1
SCHEMBL1947930 0.76 GABRA1 (0.53) HPGDGABRA1GABRG2GABRB3SMN1; SMN2
SCHEMBL30500145 0.76 GABRA1 (0.53) HPGDGABRA1GABRG2GABRB3SMN1; SMN2
SCHEMBL1947929 0.76 GABRA1 (0.53) HPGDGABRA1GABRG2GABRB3SMN1; SMN2
SCHEMBL11071114 0.72 FBP1 (0.54) SMN1; SMN2LMNAALDH1A1TSHRMEN1
SCHEMBL11076864 0.70 FBP1 (0.49) SMN1; SMN2MAPTALDH1A1PKMMAPK1
SCHEMBL9717628 0.69 HCAR3 (0.44) HPGDSMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL9717630 0.69 HCAR3 (0.44) HPGDSMN1; SMN2MAPTALDH1A1TSHR

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-4469703-A FUNGICIDES EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1984-09-04 US disclosed