SCHEMBL29776952

SCHEMBL29776952

O=C(Nc1cc(C(F)(F)F)ccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.76
TP53 P04637 1/20 0.72
GAA P10253 1/20 0.72
MAPT P10636 1/20 0.72
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
TRPV1 Q8NER1 2/20 0.65
ALDH1A1 P00352 6/20 0.61
LMNA P02545 2/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
KDR P35968 1/20 0.60
KCNH2 Q12809 1/20 0.59
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL20472469 1.00 CHRNA7 (0.76) CHRNA7TP53GAAMAPTMEN1
SCHEMBL13451876 0.90 CHRNA7 (0.64) CHRNA7TP53GAAMAPTMEN1
SCHEMBL3681047 0.89 CHRNA7 (0.67) CHRNA7TP53GAAMAPTMEN1
SCHEMBL13613542 0.89 KDR (0.69) CHRNA7TP53GAAMAPTMEN1
SCHEMBL3680621 0.88 CHRNA7 (0.62) CHRNA7TP53GAAMAPTMEN1
SCHEMBL5594738 0.88 CHRNA7 (0.66) CHRNA7TP53GAAMAPTMEN1
SCHEMBL3680987 0.88 CHRNA7 (0.62) CHRNA7TP53GAAMAPTMEN1
SCHEMBL9835452 0.88 CHRNA7 (0.61) CHRNA7TP53GAAMAPTMEN1
SCHEMBL27322095 0.88 CHRNA7 (0.61) CHRNA7TP53GAAMAPTMEN1
SCHEMBL1013241 0.88 ALDH1A1 (0.63) CHRNA7TP53GAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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