SCHEMBL16720520

SCHEMBL16720520

Cn1c(-c2cccc(O)c2)cc2c[c]ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HSD17B2 P37059 7/20 0.37
▸ HSD17B1 P14061 6/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ ESR1 P03372 4/20 0.36
▸ ESR2 Q92731 4/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35

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
SCHEMBL16720553 0.89 KMT2A (0.44) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL16719747 0.83 KMT2A (0.64) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL16719700 0.83 FYN (0.44) KMT2AALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL20476664 0.80 KMT2A (0.69) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL16719483 0.75 KMT2A (0.44) KMT2AMEN1MAPTCYP19A1FYN
SCHEMBL16720566 0.72 BRAF (0.38) KMT2AMEN1
SCHEMBL16719888 0.71 FYN (0.44) KMT2AALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL16719938 0.71 KMT2A (0.64) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL16719724 0.71 FGFR1 (0.40) KMT2AMEN1ALDH1A1HPGDCYP3A4
SCHEMBL23320529 0.70 CYP19A1 (0.74) KMT2AKDM4EMEN1ALDH1A1MAPT

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
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