Sugi Predict

Sugi Predict / Compounds / SCHEMBL14611596

SCHEMBL14611596

SCHEMBL14611596

BC(=O)c1cn([C@H](CO)C(C)(C)C)c2c(OCC)cc(Cc3cccc(Cl)c3F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.45
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ THRB P10828 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30

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
SCHEMBL1046227 0.93 METTL3 (0.53) METTL3MEN1NPC1KMT2ATHRB
SCHEMBL1046228 0.93 METTL3 (0.53) METTL3MEN1NPC1KMT2ATHRB
SCHEMBL25726681 0.92 METTL3 (0.47) METTL3MEN1NPC1KMT2ATHRB
SCHEMBL3234887 0.89 METTL3 (0.44) METTL3MEN1NPC1KMT2ATP53
SCHEMBL11956959 0.89 METTL3 (0.41) METTL3MEN1NPC1KMT2AHCRTR1
SCHEMBL3239851 0.88 METTL3 (0.51) METTL3MEN1NPC1KMT2ATHRB
SCHEMBL3239843 0.88 METTL3 (0.51) METTL3MEN1NPC1KMT2ATHRB
SCHEMBL1045227 0.85 METTL3 (0.60) METTL3TP53
SCHEMBL1045228 0.85 METTL3 (0.60) METTL3TP53
SCHEMBL1046033 0.84 METTL3 (0.55) METTL3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176220-B2 4-oxoquinoline compound and use thereof as pharmaceutical agent JAPAN TOBACCO INC. (JP) 2007-02-13 — — US disclosed