SCHEMBL4553655

SCHEMBL4553655

Cc1cc(C)nc(CNCCN(c2ccccc2)c2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4ccccn34)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
ALDH1A1 P00352 6/20 0.46
MAPT P10636 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.33
MAPK1 P28482 1/20 0.33
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MOK Q9UQ07 1/20 0.31
CCKBR P32239 1/20 0.31
RECQL P46063 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
SCHEMBL1647339 0.88 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL1647760 0.85 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL4553657 0.85 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL4553329 0.84 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL1647397 0.84 SMN1; SMN2 (0.40) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL1645530 0.81 LMNA (0.42) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL1988906 0.81 LMNA (0.36) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL2231613 0.81 SMN1; SMN2 (0.39) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL2231616 0.81 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL1647300 0.81 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTALDH1A1MAPT

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-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO disclosed