SCHEMBL4433574

SCHEMBL4433574

COc1ccc2cc(-c3ccccc3)c(C(=O)C(N)=O)n2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
THRB P10828 1/20 0.44
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
BACE1 P56817 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
PLA2G2A P14555 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL3883019 0.88 SMN1; SMN2 (0.46) SMN1; SMN2THRBGABRA1GABRG2GABRB3
SCHEMBL4434623 0.83 SMN1; SMN2 (0.49) SMN1; SMN2THRBL3MBTL1PLA2G2AALDH1A1
SCHEMBL1643301 0.82 POLB (0.49) SMN1; SMN2THRBGABRA1GABRG2GABRB3
SCHEMBL1645639 0.80 SMN1; SMN2 (0.47) SMN1; SMN2THRBGABRA1GABRG2GABRB3
SCHEMBL3886901 0.78 CYP19A1 (0.45) SMN1; SMN2THRBL3MBTL1ALDH1A1MAPT
SCHEMBL1645179 0.78 MAPT (0.46) SMN1; SMN2THRBGABRA1GABRG2GABRB3
SCHEMBL1645322 0.77 SMN1; SMN2 (0.68) SMN1; SMN2THRBL3MBTL1ALDH1A1MAPT
SCHEMBL1646571 0.76 LMNA (0.45) SMN1; SMN2THRBALDH1A1MAPTMEN1
SCHEMBL3885596 0.74 CYP19A1 (0.47) SMN1; SMN2THRBL3MBTL1ALDH1A1MAPT
SCHEMBL1644733 0.73 HTT (0.48) SMN1; SMN2THRBL3MBTL1ALDH1A1MAPT

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