SCHEMBL7173488

SCHEMBL7173488

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.66
▸ MAPT P10636 3/20 0.66
▸ GAA P10253 2/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ PTGS2 P35354 4/20 0.56
▸ LMNA P02545 2/20 0.55
▸ GHSR Q92847 4/20 0.54
▸ KMT2A Q03164 2/20 0.53
▸ TSHR P16473 2/20 0.51
▸ GLA P06280 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.49
▸ L3MBTL1 Q9Y468 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
SCHEMBL3106329 0.82 ALDH1A1 (0.56) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL3106332 0.81 ALDH1A1 (0.54) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL1224858 0.80 ALDH1A1 (1.00) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL1224417 0.80 ALDH1A1 (0.77) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL6349339 0.78 GAA (0.73) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL1225210 0.77 ALDH1A1 (0.72) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL3106340 0.77 PTGS2 (0.53) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL1225674 0.76 ALDH1A1 (0.71) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL6081481 0.75 GHSR (0.76) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL3267048 0.75 ALDH1A1 (0.52) ALDH1A1MAPTGAAKDM4ETDP1

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
EP-1355921-A2 MODULATORS OF CELLULAR PROLIFERATION AND ANGIOGENESIS, METHODS FOR USE AND IDENTIFICATION THEREOF North Shore-Long Island Jewish Health System (US) 2003-10-29 — — EP claimed
WO-2002002593-A2 MODULATORS OF CELLULAR PROLIFERATION AND ANGIOGENESIS, METHODS FOR USE AND IDENTIFICATION THEREOF NORTH SHORE-LONG ISLAND JEWISH HEALTH SYSTEM (US) 2002-01-10 — — WO claimed
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