SCHEMBL29034852

SCHEMBL29034852

CCNC=O.NC(=O)c1cc2c(cn1)[nH]c1ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 11/20 0.60
GABRG2 P18507 11/20 0.60
GABRB3 P28472 11/20 0.60
GABRA5 P31644 11/20 0.60
GABRA3 P34903 11/20 0.60
GABRA2 P47869 11/20 0.60
GABRA6 Q16445 9/20 0.60
GABRP O00591 8/20 0.60
GABRD O14764 8/20 0.60
GABRB1 P18505 8/20 0.60
GABRB2 P47870 8/20 0.60
GABRA4 P48169 8/20 0.60
GABRE P78334 8/20 0.60
GABRG1 Q8N1C3 8/20 0.60
GABRG3 Q99928 8/20 0.60
GABRQ Q9UN88 8/20 0.60
ALDH1A1 P00352 5/20 0.58
MAPT P10636 5/20 0.58
KDM4E B2RXH2 4/20 0.58
LMNA P02545 3/20 0.58

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
SCHEMBL29034835 0.91 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29034867 0.88 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29034874 0.86 GABRP (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL966651 0.85 GABRP (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1180609 0.85 GABRP (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30480076 0.85 GABRP (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29034856 0.84 KMT2A (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
Formanilide SCHEMBL29034862 0.83 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29034823 0.79 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29034873 0.79 GABRP (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3

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
CN-116396291-A Application of 1-amide and 1-hydrazide substituted beta-carboline derivative as agricultural bactericide 南京农业大学 2023-07-07 CN disclosed