SCHEMBL29344724

SCHEMBL29344724

COc1ccc(CN(C)c2cc(Nc3cc(F)cc4c3OCCO4)nc3c(C(C)CO)cnn23)c(OC)c1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL29344732 0.94 P2RX7 (0.31) SLC6A2SLC6A4
SCHEMBL29344684 0.90 POLB (0.30)
SCHEMBL29344736 0.88 CXCR3 (0.32) ALDH1A1LMNASMN1; SMN2
SCHEMBL29344744 0.87
SCHEMBL29344717 0.83 CDK2 (0.33)
SCHEMBL29344741 0.82 CXCR3 (0.32) ALDH1A1LMNASMN1; SMN2
SCHEMBL29344739 0.81 CXCR3 (0.33) ALDH1A1LMNASMN1; SMN2
SCHEMBL29344747 0.80 P2RX7 (0.30)
SCHEMBL29344696 0.77 CRHR1 (0.33)
SCHEMBL29344718 0.76 DHFR (0.37) ALDH1A1LMNAHTTSMN1; SMN2L3MBTL1

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
WO-2024151992-A1 PREPARATION OF A TYK2 INHIBITOR VENTYX BIOSCIENCES, INC. (US) 2024-07-18 WO disclosed