SCHEMBL29776972

SCHEMBL29776972

Cc1cc(OP(O)(O)=S)nc(C(C)C)n1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
TP53 P04637 1/20 0.64
CYP3A4 P08684 1/20 0.64
TSHR P16473 1/20 0.64
ACHE P22303 1/20 0.64
HSD17B10 Q99714 1/20 0.64
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.31
GBA1 P04062 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
SCHEMBL988426 1.00 ALDH1A1 (0.64) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL28342261 0.98 ALDH1A1 (0.62) ALDH1A1TP53CYP3A4TSHRACHE
Dimpylate SCHEMBL3756703 0.88 ALDH1A1 (0.87) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL11222845 0.84 ALDH1A1 (0.47) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL3866984 0.83 ALDH1A1 (0.56) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL9742159 0.82 ALDH1A1 (0.75) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL7537806 0.82 ALDH1A1 (0.71) ALDH1A1TP53CYP3A4TSHRACHE
Dimpylate SCHEMBL9812732 0.81 ALDH1A1 (0.92) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL988425 0.81 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL27301526 0.80 ALDH1A1 (0.56) ALDH1A1TP53CYP3A4TSHRACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226160-A9 ACTIVITY-INDUCIBLE FUSION PROTEINS HAVING A HEAT SHOCK PROTEIN 90 BINDING DOMAIN SEATTLE CHILDREN'S HOSPITAL D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2024-07-11 US disclosed
US-20240131072-A1 ACTIVITY-INDUCIBLE FUSION PROTEINS HAVING A HEAT SHOCK PROTEIN 90 BINDING DOMAIN SEATTLE CHILDREN'S HOSPITAL D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2024-04-25 US disclosed
EP-4291571-A2 ACTIVITY-INDUCIBLE FUSION PROTEINS HAVING A HEAT SHOCK PROTEIN 90 BINDING DOMAIN Seattle Children's Hospital d/b/a Seattle Children's Research Institute (US) 2023-12-20 EP disclosed
WO-2022174035-A2 ACTIVITY-INDUCIBLE FUSION PROTEINS HAVING A HEAT SHOCK PROTEIN 90 BINDING DOMAIN SEATTLE CHILDREN'S HOSPITAL D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2022-08-18 WO disclosed