SCHEMBL9535568

SCHEMBL9535568

CC1(c2ccc([N+](=O)[O-])c(Nc3ccc(F)cc3F)c2)OCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 3/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 8/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 5/20 0.39
HTT P42858 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PABPC1 P11940 2/20 0.37
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HSPB1 P04792 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLA P06280 1/20 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
SCHEMBL9539004 0.80 ALDH1A1 (0.44) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL9535469 0.76 ALDH1A1 (0.43) ALDH1A1TDP1ATMMAPTKMT2A
SCHEMBL9539498 0.75 AKR1C3 (0.53) ALDH1A1TDP1ATMMAPTKMT2A
SCHEMBL4940492 0.72 EPAS1 (0.56) ALDH1A1TDP1ATMMAPTKMT2A
SCHEMBL30615510 0.72 EPAS1 (0.56) ALDH1A1TDP1ATMMAPTKMT2A
SCHEMBL9537323 0.71 CASP6 (0.51) ALDH1A1TDP1ATMMAPTKMT2A
SCHEMBL9536353 0.71 TDP1 (0.50) ALDH1A1TDP1ATMMAPTKMT2A
SCHEMBL9536018 0.71 ALDH1A1 (0.54) ALDH1A1TDP1MAPTLMNAHTT
SCHEMBL9536533 0.71 ALDH1A1 (0.47) ALDH1A1TDP1ATMMAPTKMT2A
SCHEMBL9535377 0.70 LMNA (0.49) ALDH1A1TDP1ATMMAPTKMT2A

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
EP-0292979-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
US-5034417-A Antiinflammatory agents or analgesics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0292979-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-30 EP disclosed