SCHEMBL4634491

SCHEMBL4634491

O=C1N=C(Nc2ccc(C(Br)C(=O)O)c(F)c2)SC1=CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.33
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
MPI P34949 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM6B O15054 1/20 0.31
FTO Q9C0B1 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
HIF1AN Q9NWT6 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
PLG P00747 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL4134176 0.80 AKR1C3 (0.36) MAPTL3MBTL1POLBMAPK1KDM6B
SCHEMBL4134174 0.80 AKR1C3 (0.36) MAPTL3MBTL1POLBMAPK1KDM6B
SCHEMBL4133274 0.77 MEN1 (0.41) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL4133272 0.77 MEN1 (0.41) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL4634551 0.72 PTGS1 (0.37) P2RX3MAPTTHRBL3MBTL1
SCHEMBL4143591 0.72 MAOA (0.43)
SCHEMBL4143594 0.72 MAOA (0.43)
SCHEMBL4128820 0.69 KMT2A (0.47) MAPTALDH1A1POLBHPGD
SCHEMBL4128816 0.69 KMT2A (0.47) MAPTALDH1A1POLBHPGD
SCHEMBL4129392 0.69 AKR1C3 (0.34) MAPTALDH1A1POLB

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-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP claimed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO claimed