SCHEMBL16719888

SCHEMBL16719888

Cn1c(-c2cccc(F)c2)cc2cc[c]cc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ EGLN2 Q96KS0 1/20 0.35
▸ APP P05067 3/20 0.35
▸ GRIN1 Q05586 3/20 0.33
▸ GRIN2B Q13224 3/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ ACLY P53396 1/20 0.33
▸ PTGES2 Q9H7Z7 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33

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
SCHEMBL16719700 0.89 FYN (0.44) FYNKMT2AEGLN2APPGRIN1
SCHEMBL16719938 0.83 KMT2A (0.64) KMT2AAPPALDH1A1CYP19A1
SCHEMBL16720553 0.83 KMT2A (0.44) FYNKMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL16719562 0.75 KMT2A (0.44) FYNKMT2AAPPCYP19A1
SCHEMBL22022092 0.73 ACLY (0.54) FYNKMT2AACLYCYP19A1
SCHEMBL18230486 0.73 HTR2A (0.30) —
SCHEMBL22003808 0.72 ACLY (0.49) FYNKMT2AALDH1A1ACLYCYP19A1
SCHEMBL16720916 0.72 BRAF (0.38) KMT2A
SCHEMBL16720520 0.71 KMT2A (0.44) FYNKMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL16719747 0.71 KMT2A (0.64) KMT2AAPPALDH1A1CYP19A1

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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