SCHEMBL5280488

SCHEMBL5280488

Cc1c(Br)nnn1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.34
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2757595 0.75 CYP1A2 (0.34) TOP2ACYP1A2CYP2C19ALDH1A1POLB
SCHEMBL5277461 0.74 ALDH1A1 (0.32) TOP2ACYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL5276571 0.74 CYP1A2 (0.35) TOP2ACYP1A2CYP2C19ALDH1A1POLB
SCHEMBL5275765 0.71 TOP2A (0.34) TOP2ACYP1A2CYP2C19ALDH1A1POLB
SCHEMBL13340877 0.71 HPGD (0.33) TOP2ACYP1A2CYP2C19ALDH1A1POLB
SCHEMBL24377343 0.71 CYP1A2 (0.32) TOP2ACYP1A2CYP2C19ALDH1A1POLB
SCHEMBL5275800 0.71 TOP2A (0.34) TOP2ACYP1A2CYP2C19ALDH1A1POLB
SCHEMBL19302614 0.71 CYP1A2 (0.32) TOP2ACYP1A2CYP2C19ALDH1A1POLB
SCHEMBL5274379 0.71 CYP1A2 (0.40) TOP2ACYP1A2CYP2C19ALDH1A1POLB
SCHEMBL5276140 0.71 CYP1A2 (0.32) TOP2ACYP1A2CYP2C19ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed