SCHEMBL29952656

SCHEMBL29952656

OB(O)c1cc(F)ccc1OC(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ENPP2 Q13822 1/20 0.34
▸ PDE4B Q07343 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ APP P05067 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32

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
SCHEMBL15010805 1.00 HTT (0.36) HTTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL29956495 0.87 ENPP2 (0.39) HTTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL264985 0.85 ACLY (0.39) KMT2AALDH1A1MEN1MAPTKCNH2
SCHEMBL6460545 0.82 ENPP2 (0.36) KMT2AMEN1MAPTENPP2L3MBTL1
SCHEMBL29956290 0.81 ALDH1A1 (0.49) HTTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL29957287 0.80 MCHR1 (0.36) KMT2AMEN1MAPTL3MBTL1HPGD
SCHEMBL4572 0.79 ENPP2 (0.57) HTTSMN1; SMN2ENPP2TUBB4ATUBB
SCHEMBL31040152 0.79 ENPP2 (0.57) HTTSMN1; SMN2ENPP2TUBB4ATUBB
SCHEMBL29469117 0.79 ENPP2 (0.57) HTTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL14746822 0.79 ENPP2 (0.57) HTTSMN1; SMN2KMT2AALDH1A1MEN1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
Send feedback