SCHEMBL11809149

SCHEMBL11809149

Brc1ccc(/N=N\c2ccc(Br)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLB1 P16278 1/20 0.74
CTRB1 P17538 1/20 0.74
CTRC Q99895 1/20 0.74
CYP2A6 P11509 1/20 0.57
CYP1A1 P04798 2/20 0.56
CYP1B1 Q16678 2/20 0.56
MAPT P10636 6/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 4/20 0.52
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
SLC22A3 O75751 1/20 0.50
PLAU P00749 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL11691771 1.00 GLB1 (0.74) GLB1CTRB1CTRCCYP2A6CYP1A1
SCHEMBL20580180 0.88 ALDH1A1 (0.67) GLB1CTRB1CTRCCYP2A6CYP1A1
SCHEMBL3287382 0.88 ALDH1A1 (0.67) GLB1CTRB1CTRCCYP2A6CYP1A1
SCHEMBL27974189 0.86 GLB1 (0.58) GLB1CTRB1CTRCCYP2A6CYP1A1
SCHEMBL28661966 0.86 GLB1 (0.58) GLB1CTRB1CTRCCYP2A6CYP1A1
SCHEMBL6310251 0.86 GLB1 (1.00) GLB1CTRB1CTRCCYP1A1CYP1B1
SCHEMBL28552816 0.84 GLB1 (0.56) GLB1CTRB1CTRCCYP2A6CYP1A1
SCHEMBL5849117 0.82 GLB1 (0.61) GLB1CTRB1CTRCCYP2A6CYP1A1
SCHEMBL26005276 0.82 GLB1 (0.54) GLB1CTRB1CTRCCYP2A6CYP1A1
SCHEMBL19675674 0.82 GLB1 (0.54) GLB1CTRB1CTRCCYP2A6CYP1A1

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
US-3965049-A One-step synthesis of aromatic organic diselenides XEROX CORPORATION (US) 1976-06-22 US claimed
US-3965049-A One-step synthesis of aromatic organic diselenides XEROX CORPORATION (US) 1976-06-22 US disclosed