SCHEMBL29954703

SCHEMBL29954703

COC(=O)c1sc(B(O)O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 6/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
ALOX15 P16050 2/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 2/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
IKBKB O14920 1/20 0.38

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
SCHEMBL20504877 0.81 IKBKB (0.43) ALDH1A1KDM4EMAPTKMT2AHSD17B10
SCHEMBL20505446 0.81 MAPT (0.43) ALDH1A1KDM4EMAPTKMT2AHSD17B10
SCHEMBL29953298 0.79 KDM4E (0.39) ALDH1A1KDM4EMAPTKMT2ATSHR
SCHEMBL20505368 0.79 KMT2A (0.41) ALDH1A1KDM4EMAPTKMT2AHSD17B10
SCHEMBL381164 0.78 MAPK14 (0.52) ALDH1A1KDM4EMAPTKMT2AHSD17B10
SCHEMBL2027674 0.77 MAPT (0.47) ALDH1A1KDM4EMAPTKMT2AHSD17B10
Hydrochloric Acid SCHEMBL5445499 0.76 MAPK14 (0.51) ALDH1A1KDM4EMAPTKMT2AHSD17B10
SCHEMBL20505625 0.76 KMT2A (0.51) ALDH1A1KDM4EMAPTKMT2AHSD17B10
SCHEMBL2434313 0.76 RAF1 (0.38) ALDH1A1KDM4EMAPTKMT2AHSD17B10
SCHEMBL13883492 0.75 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAHPGDGLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044183-A1 FUSED HETEROBICYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2024-02-29 WO disclosed
EP-4188927-A1 CYTOTOXIC AGENTS Pheon Therapeutics Ltd (GB) 2023-06-07 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed