SCHEMBL7765833

SCHEMBL7765833

CC(C)(C#N)c1cccc(N)c1Br

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.32
TSHR P16473 1/20 0.32
PIK3CA P42336 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL9812334 0.78 CA2 (0.44) CYP3A4TSHRPIK3CA
SCHEMBL7767484 0.78 L3MBTL1 (0.33)
SCHEMBL15950944 0.75 CYP3A4 (0.36) CYP3A4TSHRPIK3CA
SCHEMBL8763114 0.73 TSHR (0.39) CYP3A4TSHR
SCHEMBL3533547 0.72 CA1 (0.37) TSHRCYP1A2CYP2C19
SCHEMBL30238802 0.72 CA1 (0.37) TSHRCYP1A2CYP2C19
SCHEMBL2967044 0.72 GABRA1 (0.34) CYP3A4TSHRPIK3CA
SCHEMBL16897504 0.72 ALDH1A1 (0.32)
SCHEMBL7731241 0.71 TDP1 (0.42) CYP3A4TSHRCYP1A2CYP2C19
SCHEMBL11227775 0.70 CYP3A4 (0.39) CYP3A4TSHRPIK3CACYP1A2CYP2C9

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-0701554-B1 NOVEL COMPOUNDS HAVING A BENZISOSELEN-AZOLINE AND -AZINE STRUCTURE, METHOD FOR PREPARING SAME AND THERAPEUTIC USES THEREOF OXIS ISLE OF MAN LTD (GB) 2001-06-27 EP disclosed
US-6093532-A USING ADAPTED STORAGE MEDIUM WHICH SUPPLIES SELENIUM FOR GLUTATHIONE PEROXIDASE, A CRYOPROTECTIVE AND ANTIOXIDANT ENZYME OXIS ISLE OF MAN, LIMITED (US) 2000-07-25 US disclosed
US-5968920-A INCREASE GLUTATHIONE PEROXIDASE ACTIVITY FOR REDUCING LEVELS OF PEROXIDES IN CELLS OR TISSUES OXIS ISLE OF MAN, LIMITED (US) 1999-10-19 US disclosed
EP-0701554-A1 NOVEL COMPOUNDS HAVING A BENZISOSELEN-AZOLINE AND -AZINE STRUCTURE, METHOD FOR PREPARING SAME AND THERAPEUTIC USES THEREOF OXIS INTERNATIONAL S.A. (FR) 1996-03-20 EP disclosed
WO-1995027706-A1 NOVEL COMPOUNDS HAVING A BENZISOSELEN-AZOLINE AND -AZINE STRUCTURE, METHOD FOR PREPARING SAME AND THERAPEUTIC USES THEREOF OXIS INTERNATIONAL S.A. (FR) 1995-10-19 WO disclosed