SCHEMBL31379113

SCHEMBL31379113

CSc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.32
BTK Q06187 1/20 0.32
LPL P06858 4/20 0.32
LIPG Q9Y5X9 4/20 0.32
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 2/20 0.31
HTT P42858 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 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
SCHEMBL17654381 0.83 LPL (0.33) LPLLIPGHSD17B10ALDH1A1TSHR
SCHEMBL31379104 0.83 LPL (0.34) JAK2BTKLPLLIPG
SCHEMBL22366946 0.81 KCNH2 (0.33) JAK2BTKLPLLIPGHTT
SCHEMBL15315303 0.80 LPL (0.38) JAK2BTKLPLLIPG
SCHEMBL15071862 0.79 TSHR (0.39) JAK2BTKLPLLIPGKMT2A
SCHEMBL16688104 0.77 LPL (0.46) LPLLIPG
SCHEMBL462939 0.77 JAK2 (0.36) JAK2BTKLPLLIPGHTT
SCHEMBL25600192 0.77 JAK2 (0.32) JAK2BTK
SCHEMBL2522663 0.76 LPL (0.37) JAK2BTKLPLLIPGALDH1A1
SCHEMBL10269959 0.76 HSD17B10 (0.42) JAK2BTKLPLLIPGHSD17B10

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-2025037034-A1 THIENOTHIADIAZINES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2025-02-20 WO disclosed