SCHEMBL11266634

SCHEMBL11266634

N#CCCCC(Br)c1cnccn1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.38
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL11255234 0.77 ALDH1A1 (0.45) HRH1ATML3MBTL1ALDH1A1
SCHEMBL5159765 0.75 CYP2D6 (0.33) HRH1ATMALDH1A1
SCHEMBL31152640 0.72 HSP90AA1 (0.34) ATMALDH1A1
SCHEMBL9992063 0.71 ATM (0.36) HRH1ATMALDH1A1
SCHEMBL11266651 0.69 ATM (0.36) HRH1ATMALDH1A1
SCHEMBL11870172 0.67
SCHEMBL11256431 0.67 ATM (0.36) HRH1ATMALDH1A1
SCHEMBL31036191 0.67 SMN1; SMN2 (0.33) ALDH1A1
SCHEMBL28256487 0.65 ATM (0.36) HRH1ATML3MBTL1ALDH1A1
SCHEMBL10716939 0.64

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
US-4327213-A ANTIULCER AGENTS ACF Chemiefarma VA (NL) 1982-04-27 US disclosed