SCHEMBL3658625

SCHEMBL3658625

COc1cc2c(cc1NCc1c(F)cccc1F)c(=O)c(C(=O)O)cn2C(C)C(C)CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.49
▸ PDE10A Q9Y233 1/20 0.40
▸ GSK3B P49841 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TOP1 P11387 3/20 0.36
▸ HPGD P15428 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE7A Q13946 1/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 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
SCHEMBL1300293 0.91 METTL3 (0.61) METTL3PDE10AGSK3BPOLBKDM4E
SCHEMBL1300296 0.91 METTL3 (0.61) METTL3PDE10AGSK3BPOLBKDM4E
SCHEMBL3660161 0.83 METTL3 (0.38) METTL3PDE10AGSK3BKDM4EMEN1
SCHEMBL1301634 0.83 METTL3 (0.55) METTL3PDE10AGSK3BPOLBKDM4E
SCHEMBL1301640 0.83 METTL3 (0.55) METTL3PDE10AGSK3BPOLBKDM4E
SCHEMBL1302090 0.78 TOP1 (0.41) METTL3PDE10APOLBKDM4EMEN1
SCHEMBL1302092 0.78 TOP1 (0.41) METTL3PDE10APOLBKDM4EMEN1
SCHEMBL1300490 0.78 METTL3 (0.57) METTL3PDE10AKDM4ETOP1HPGD
SCHEMBL1300493 0.78 METTL3 (0.57) METTL3PDE10AKDM4ETOP1HPGD
SCHEMBL1301595 0.77 METTL3 (0.57) METTL3PDE10APOLBKDM4EGAA

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-2231665-A2 NOVEL COMPOSITIONS AND METHODS OF USE Ardea Biosciences, Inc. (US) 2010-09-29 — — EP claimed
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 — — WO claimed
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