SCHEMBL3453898

SCHEMBL3453898

CC1(C)CC(CCCCCCCCCCCCCCCC(N)=O)CC(C)(C)N1[O]

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
TARDBP Q13148 1/20 0.36
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
SOAT1 P35610 2/20 0.33
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
ABHD16A O95870 1/20 0.31
AR P10275 1/20 0.31
KDM5A P29375 1/20 0.30
KDM7A Q6ZMT4 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30
CYP2C9 P11712 1/20 0.30
KDM4E B2RXH2 2/20 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
SCHEMBL8435489 0.87 KMT2A (0.36) KMT2ATARDBPCYP3A4CYP2C19SOAT1
SCHEMBL26307850 0.82 KMT2A (0.40) KMT2ATARDBPCYP3A4CYP2C19SOAT1
SCHEMBL22472188 0.77 CA1 (0.33)
SCHEMBL18526803 0.77 CYP1A2 (0.37) KMT2ACYP3A4CYP2C19MEN1CYP1A2
SCHEMBL7941385 0.75 UGT2B7 (0.32) KDM4E
SCHEMBL15299925 0.73 KDM5A (0.43) KMT2AMEN1KDM5AKDM7AKDM4C
SCHEMBL15299922 0.73 KDM5A (0.43) KMT2AMEN1KDM5AKDM7AKDM4C
SCHEMBL10423804 0.73 KDM5A (0.43) KMT2AMEN1KDM5AKDM7AKDM4C
SCHEMBL9063104 0.73 TSHR (0.40) KMT2AMEN1KDM5AKDM7AKDM4C
SCHEMBL15300098 0.73 KDM5A (0.43) KMT2AMEN1KDM5AKDM7AKDM4C

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-2205256-A2 REAGENTS FOR INDUCING AN IMMUNE RESPONSE Dana-Faber Cancer Institute, Inc. (US) 2010-07-14 EP disclosed
WO-2009042895-A2 REAGENTS FOR INDUCING AN IMMUNE RESPONSE DANA-FARBER CANCER INSTITUTE, INC. (US) 2009-04-02 WO disclosed