SCHEMBL5285992

SCHEMBL5285992

CC(C)n1nnc(C(C)(C)C)c1Br

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5278931 0.83 TOP2A (0.32) TOP2AALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5279796 0.82 TOP2A (0.31) TOP2A
SCHEMBL5275580 0.79
SCHEMBL5274094 0.79
SCHEMBL5279950 0.78 TOP2A (0.35) TOP2AALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5274607 0.77 CYP1A2 (0.31) ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5276943 0.77 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5277217 0.75 HPGD (0.30) ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5277672 0.75 CYP1A2 (0.33) ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL18812292 0.75 HPGD (0.30) ALDH1A1CYP1A2CYP2C19SMN1; SMN2

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