SCHEMBL7084434

SCHEMBL7084434

CCCc1c[nH]c2ccc(Oc3c(Br)cc([N+](=O)[O-])cc3Br)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
PLA2G2A P14555 2/20 0.50
HTR2A P28223 4/20 0.49
FAAH O00519 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NQO2 P16083 1/20 0.45
MTNR1A P48039 2/20 0.44
HTR1A P08908 6/20 0.44
HTR1B P28222 6/20 0.44
HTR1D P28221 5/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL7088062 0.94 LTA4H (0.48) LTA4HPLA2G2AHTR2AFAAHMEN1
SCHEMBL7082793 0.93 LTA4H (0.48) LTA4HPLA2G2AHTR2AFAAHMEN1
SCHEMBL7088534 0.92 HTR1B (0.48) LTA4HPLA2G2AHTR2AFAAHMEN1
SCHEMBL7089493 0.88 LTA4H (0.51) LTA4HPLA2G2AHTR2AFAAHMEN1
SCHEMBL7088959 0.84 LTA4H (0.48) LTA4HPLA2G2AHTR2AFAAHMEN1
SCHEMBL7090401 0.84 HTR1A (0.52) HTR2AMEN1KMT2AMTNR1AHTR1A
SCHEMBL7089721 0.83 THRA (0.45) LTA4HPLA2G2AHTR2AFAAHMEN1
SCHEMBL7082617 0.81 LTA4H (0.43) LTA4HPLA2G2AHTR2AFAAHMEN1
SCHEMBL7087730 0.81 THRA (0.48) LTA4HPLA2G2AHTR2AFAAHMEN1
SCHEMBL7091958 0.81 CYP1A2 (0.46) LTA4HPLA2G2AHTR2AFAAHMEN1

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
EP-1280802-A4 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD (KR) 2003-06-11 EP disclosed
EP-1280802-A1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG Life Sciences Ltd. (KR) 2003-02-05 EP disclosed
EP-1268422-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES Bayer Aktiengesellschaft (DE) 2003-01-02 EP disclosed
WO-2001085726-A1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD. (KR) 2001-11-15 WO disclosed
WO-2001070687-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-27 WO disclosed