SCHEMBL5142189

SCHEMBL5142189

CC(=O)Oc1c(F)cc(SCCNS(=O)(=O)c2ccc(Cl)cc2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPT P10636 3/20 0.59
HSD17B10 Q99714 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
NFKB1 P19838 1/20 0.56
PMP22 Q01453 1/20 0.56
HIF1A Q16665 1/20 0.56
HTT P42858 6/20 0.53
LMNA P02545 4/20 0.53
TSHR P16473 6/20 0.49
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 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
SCHEMBL7918789 0.84 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL2925987 0.84 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL7924024 0.83 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL7920584 0.83 ALDH1A1 (0.81) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL28393354 0.83 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL7911825 0.83 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL7920997 0.82 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL7911552 0.82 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL28395566 0.77 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL7911832 0.77 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050305-A1 Thromboxane inhibitors, compositions and methods of use NITROMED, INC. 2003-03-13 US claimed
WO-2001089519-A1 THROMBOXANE INHIBITORS, COMPOSITIONS AND METHODS OF USE RELATED APPLICATIONS NITROMED, INC. (US) 2001-11-29 WO claimed
EP-1242068-A4 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED INC (US) 2007-04-25 EP disclosed
EP-1242068-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION Nitromed, Inc. (US) 2002-09-25 EP disclosed
WO-2001032167-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED, INC. (US) 2001-05-10 WO disclosed