SCHEMBL9256514

SCHEMBL9256514

O=C(Oc1ccc2c(c1)OC=C(C(=S)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 6/20 0.48
ATM Q13315 1/20 0.48
MGLL Q99685 5/20 0.42
CYP3A4 P08684 3/20 0.39
CYP3A5 P20815 2/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 1/20 0.37
PLA2G7 Q13093 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
MAPT P10636 2/20 0.37
FAAH O00519 1/20 0.36
NAMPT P43490 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL9251722 0.93 KMT2A (0.48) KMT2AATMMGLLCYP3A4CYP3A5
SCHEMBL9262507 0.90 KMT2A (0.48) KMT2AATMMGLLCYP3A4CYP3A5
SCHEMBL9261790 0.84 MGLL (0.46) KMT2AMGLLFAAH
SCHEMBL9260454 0.77 MGLL (0.39) MGLLFAAH
SCHEMBL9263304 0.77 MGLL (0.47) KMT2AMGLLMEN1ALDH1A1FAAH
SCHEMBL9256138 0.76 CACNA1B (0.46) KMT2AATMMGLLCYP3A4CYP1A2
SCHEMBL9256320 0.74 MGLL (0.45) KMT2AMGLLMEN1ALDH1A1MAPT
SCHEMBL9264047 0.74 MGLL (0.44) KMT2AMGLLMEN1ALDH1A1MAPT
SCHEMBL9259528 0.71 MGLL (0.45) KMT2AMGLLMEN1ALDH1A1MAPT
SCHEMBL9254614 0.70 MGLL (0.43) KMT2AMGLLALDH1A1MAPTFAAH

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
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