SCHEMBL31290789

SCHEMBL31290789

N#Cc1c(Br)c(C#N)c(C#N)c(Br)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL13826033 0.92 ATM (0.37) ATMMEN1ALDH1A1TP53CYP3A4
SCHEMBL30983774 0.88 ATM (0.36) ATMMEN1ALDH1A1TP53CYP3A4
SCHEMBL11480603 0.88 ATM (0.36) ATMMEN1ALDH1A1TP53CYP3A4
SCHEMBL11575580 0.83 ATM (0.37) ATMMEN1ALDH1A1TP53CYP3A4
SCHEMBL10603594 0.80 ATM (0.36) ATMMEN1ALDH1A1TP53CYP3A4
SCHEMBL29396347 0.79 MEN1 (0.32) ATMMEN1ALDH1A1TP53CYP3A4
SCHEMBL17795982 0.79 MEN1 (0.32) ATMMEN1ALDH1A1TP53CYP3A4
SCHEMBL31619448 0.77 MEN1 (0.39) ATMMEN1MAPK1KMT2A
SCHEMBL18135461 0.73 ATM (0.33) ATM
SCHEMBL5162118 0.72 ALDH1A1 (0.46) ATMMEN1ALDH1A1TP53CYP3A4

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-20240408574-A1 ADSORPTION OF CARBON DIOXIDE BY SWING ADSORPTION METHODS AVNOS INC (US) 2024-12-12 US disclosed