SCHEMBL9251722

SCHEMBL9251722

O=C(Oc1ccc2c(c1)OC=C(C(=O)N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)O2)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
ATM Q13315 1/20 0.48
MGLL Q99685 5/20 0.41
NAMPT P43490 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP3A5 P20815 2/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
PLA2G7 Q13093 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
MAPT P10636 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL9262507 0.98 KMT2A (0.48) KMT2AATMMGLLNAMPTL3MBTL1
SCHEMBL9256514 0.93 KMT2A (0.48) KMT2AATMMGLLNAMPTCYP3A4
SCHEMBL9263304 0.84 MGLL (0.47) KMT2AMGLLALDH1A1FAAH
SCHEMBL9256320 0.81 MGLL (0.45) KMT2AMGLLALDH1A1MAPT
SCHEMBL9264047 0.81 MGLL (0.44) KMT2AMGLLALDH1A1MAPTFAAH
SCHEMBL9259528 0.79 MGLL (0.45) KMT2AMGLLALDH1A1MAPT
SCHEMBL9254614 0.78 MGLL (0.43) KMT2AMGLLALDH1A1MAPTFAAH
SCHEMBL9254998 0.78 ALDH1A1 (0.51) KMT2AATMMGLLL3MBTL1ALDH1A1
SCHEMBL9257887 0.78 MGLL (0.41) KMT2AMGLLALDH1A1FAAH
SCHEMBL9261790 0.76 MGLL (0.46) KMT2AMGLLFAAH

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
US-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed
EP-0624582-A1 Substituted benzodioxine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-11-17 EP disclosed