SCHEMBL16720695

SCHEMBL16720695

[c]1ccc2sc(-c3cscn3)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.34
▸ KDM4B O94953 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ METAP2 P50579 6/20 0.31
▸ METAP1 P53582 6/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ FKBP1A P62942 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HIF1A Q16665 1/20 0.31

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
SCHEMBL15075765 0.78 CYP19A1 (0.54) CYP19A1METAP2METAP1KDM4ENPC1
SCHEMBL16719703 0.73 APP (0.37) KDM4ENPC1RAB9AHDAC6
SCHEMBL9727720 0.70 APP (0.47) CYP19A1HDAC6
SCHEMBL3807869 0.69 ESR1 (0.49) CYP1A2CYP3A4RAB9ASMN1; SMN2HDAC6
SCHEMBL16720684 0.69 NPC1 (0.37) KDM4AKDM4BKDM5CKDM5BCYP19A1
SCHEMBL4477771 0.68 ALDH1A1 (0.33) —
SCHEMBL16719735 0.67 METAP1 (0.42) METAP2METAP1
SCHEMBL3807944 0.67 HDAC3 (0.50) CYP19A1KDM4ENPC1CYP1A2CYP3A4
SCHEMBL16720504 0.66 KDM4A (0.41) KDM4AKDM4BKDM5CKDM5BMETAP2
SCHEMBL3145603 0.66 KDM4A (0.38) KDM4AKDM4BKDM5CKDM5BMETAP2

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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