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
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