SCHEMBL11437748

SCHEMBL11437748

Cc1cc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CCR2 P41597 3/20 0.38
▸ PKM P14618 2/20 0.38
▸ IDH1 O75874 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ GAA P10253 3/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ PLCG1 P19174 1/20 0.35
▸ DNMT1 P26358 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CCKBR P32239 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ NFKBIA P25963 2/20 0.34
▸ RELA Q04206 2/20 0.34

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
SCHEMBL11415799 0.83 NHERF1 (0.46) ALDH1A1MAPTIDH1MAPK1L3MBTL1
SCHEMBL11415802 0.83 NFKBIA (0.52) ALDH1A1MAPTIDH1MAPK1L3MBTL1
SCHEMBL11408919 0.82 ALDH1A1 (0.47) ALDH1A1MAPTCCR2PKMMAPK1
SCHEMBL11408921 0.82 MAPT (0.45) ALDH1A1MAPTCCR2PKMNSD2
SCHEMBL11438958 0.81 NT5E (0.40) ALDH1A1GAACASP6SMN1; SMN2HTT
SCHEMBL11406040 0.79 IDH1 (0.48) MAPTPKMIDH1MAPK1L3MBTL1
SCHEMBL11405692 0.79 IDH1 (0.42) ALDH1A1MAPTPKMIDH1MAPK1
SCHEMBL11432314 0.78 SMN1; SMN2 (0.51) ALDH1A1MAPTIDH1MAPK1GAA
SCHEMBL11412518 0.76 NT5E (0.42) ALDH1A1MAPTGAANSD2CASP6
SCHEMBL11412516 0.76 NT5E (0.42) ALDH1A1MAPTGAANSD2CASP6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4229372-A INHIBITORS OF THE COMPLEMENT SYSTEM, IMMUNOLOGY AMERICAN CYANAMID COMPANY (US) 1980-10-21 — — US disclosed
EP-0008154-A1 Ureylene phenylene anionic naphthalene-sulfonic acids, their use as complement system inhibitors in a body fluid and process for their preparation AMERICAN CYANAMID COMPANY (US) 1980-02-20 — — EP disclosed
US-4155931-A COMPLEMENT INHIBITORS FOR MAMMALS AMERICAN CYANAMID COMPANY (US) 1979-05-22 — — US disclosed
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