SCHEMBL8425396

SCHEMBL8425396

N#Cc1cc(CN2CC[C@H](NCc3ccccc3)C2=O)cs1.O=S(=O)(O)c1cc(Cl)c(Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.43
FNTB P49356 10/20 0.43
PGGT1B P53609 9/20 0.43
KCNH2 Q12809 2/20 0.43
CYP3A4 P08684 1/20 0.42
F10 P00742 9/20 0.37
F2 P00734 3/20 0.37
PLG P00747 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL8423915 0.88 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7419783 0.86 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL2329019 0.82 F10 (0.44) F10F2PLG
SCHEMBL8424616 0.80 F10 (0.57) F10F2PLG
SCHEMBL7475980 0.79 F10 (0.35) FNTAFNTBPGGT1BKCNH2F10
SCHEMBL8425646 0.79 F10 (0.41) FNTAFNTBPGGT1BKCNH2F10
SCHEMBL2330347 0.78 KLK6 (0.41) FNTAFNTBPGGT1BKCNH2F10
SCHEMBL8427867 0.77 FNTA (0.44) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7427698 0.76 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8424049 0.76 S100A9 (0.33) F10F2PLG

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-5958918-A Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. 1999-09-28 US disclosed