SCHEMBL4553628

SCHEMBL4553628

CN1CCN(c2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4ccccn34)cc2)CC1.CN1CCc2cc(NC(=O)C(=O)c3c(-c4ccccc4)cc4ccccn34)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 5/20 0.48
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR6 P50406 1/20 0.41
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL1647320 0.92 ALDH1A1 (0.56) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1646045 0.91 MAPT (0.58) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1644528 0.87 ALDH1A1 (0.54) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1645570 0.82 MAPT (0.58) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1644926 0.81 MAPT (0.58) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1645536 0.81 MAPT (0.57) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1645535 0.81 MAPT (0.55) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2231595 0.81 ALDH1A1 (0.55) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1646414 0.81 MAPT (0.66) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1646528 0.80 ALDH1A1 (0.55) MAPTALDH1A1LMNAHTTSMN1; SMN2

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