SCHEMBL8040878

SCHEMBL8040878

N#Cc1cc(CN2CC[C@H](NC(=O)c3ccccn3)C2=O)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GRM5 P41594 3/20 0.40
SRC P12931 1/20 0.39
RIPK1 Q13546 1/20 0.39
FNTA P49354 4/20 0.39
FNTB P49356 4/20 0.39
PGGT1B P53609 4/20 0.39
F10 P00742 2/20 0.39
F2 P00734 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PRKAA2 P54646 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
USP30 Q70CQ3 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL7419778 0.87 HDAC1 (0.48) HDAC1HDAC8HDAC6SRCFNTA
SCHEMBL7423007 0.84 GRM5 (0.52) CRBNHDAC1HDAC8HDAC6GRM5
SCHEMBL8040881 0.82 FNTA (0.45) FNTAFNTBPGGT1BF10F2
SCHEMBL7422065 0.81 SRC (0.39) HDAC1HDAC8HDAC6SRCF10
SCHEMBL7427696 0.80 HDAC1 (0.41) HDAC1HDAC8HDAC6FNTAFNTB
SCHEMBL7425114 0.78 GRM5 (0.45) CRBNGRM5FNTAFNTBPGGT1B
SCHEMBL7419783 0.77 FNTA (0.52) HDAC1HDAC8HDAC6FNTAFNTB
SCHEMBL7423307 0.77 F10 (0.39) HDAC1HDAC8HDAC6FNTAFNTB
SCHEMBL2330001 0.76 F2 (0.38) SRCFNTAFNTBPGGT1BF10
SCHEMBL8040094 0.76 F2 (0.38) SRCFNTAFNTBPGGT1BF10

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-6034093-A Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-03-07 US disclosed