SCHEMBL16719802

SCHEMBL16719802

[c]1ccc2c(c1)N(c1ccccc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
SIGMAR1 Q99720 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
KDM4C Q9H3R0 1/20 0.37
MAPK1 P28482 3/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 2/20 0.35
UBE2N P61088 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP2 O75604 1/20 0.34
CDK4 P11802 1/20 0.34
ALOX15 P16050 1/20 0.34
CCND1 P24385 1/20 0.34

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
SCHEMBL16720111 0.82 MEN1 (0.40) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL3145827 0.79 SMN1; SMN2 (0.46) SIGMAR1MEN1KMT2ANPC1RAB9A
SCHEMBL29542545 0.77 ALDH1A1 (0.53) DDB1CRBNSIGMAR1MEN1KMT2A
SCHEMBL3905172 0.77 ALDH1A1 (0.53) DDB1CRBNSIGMAR1MEN1KMT2A
SCHEMBL695651 0.77 ACHE (0.36) DDB1CRBNSIGMAR1MEN1KMT2A
SCHEMBL4802220 0.72 DDB1 (0.43) DDB1CRBNSIGMAR1MEN1KMT2A
SCHEMBL692976 0.71 EED (0.50) SIGMAR1MEN1KMT2ANPC1RAB9A
SCHEMBL5591602 0.71 SCN9A (0.43) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4859348 0.71 MEN1 (0.31) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL1450385 0.71 ALDH1A1 (0.34) MEN1KMT2AALDH1A1HPGDGAA

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-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed