SCHEMBL11583279

SCHEMBL11583279

O=C(O)c1cc(S(=O)(=O)O)ccc1C(=O)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ HGFAC Q04756 1/20 0.46
▸ ALOX5 P09917 3/20 0.44
▸ GPR17 Q13304 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ P2RY2 P41231 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
SCHEMBL11586606 0.86 ALDH1A1 (0.54) MAPTALOX5MEN1KMT2AAKR1C3
SCHEMBL28197221 0.83 MAPT (0.60) F2MAPTHGFACALOX5MEN1
SCHEMBL11585100 0.83 KDM4E (0.51) MAPTALOX5KMT2ATP53ALDH1A1
SCHEMBL11585598 0.83 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL11585131 0.81 KDM4E (0.44) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL11584035 0.81 LMNA (0.47) MAPTALOX5MEN1KMT2ATP53
SCHEMBL11583353 0.81 ALDH1A1 (0.44) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL11583826 0.81 MAPT (0.47) MAPTAKR1C3AKR1C2ALDH1A1KDM4E
SCHEMBL11583633 0.80 S1PR3 (0.44) MAPTALOX5KMT2ATP53ALDH1A1
SCHEMBL11583282 0.79 GPR17 (0.60) MAPTGPR17MEN1KMT2ATP53

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-4101551-A WATER INSOLUBILITY, AFFINITY FOR POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 — — US disclosed
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