SCHEMBL31290787

SCHEMBL31290787

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5398018 0.93 ALDH1A1 (0.33) ALDH1A1TSHRMEN1TP53CYP3A4
SCHEMBL23652675 0.87 KDM4E (0.34) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL23652654 0.83 HPGD (0.36) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL24199124 0.81
SCHEMBL23664988 0.81
SCHEMBL21251386 0.78
SCHEMBL21251401 0.76 GAA (0.33) SMN1; SMN2
SCHEMBL28073141 0.75
SCHEMBL57168 0.64 ALDH1A1 (0.47) ALDH1A1MEN1TP53CYP3A4MAPT
SCHEMBL5831499 0.64 ALDH1A1 (0.36) ALDH1A1

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