SCHEMBL9315853

SCHEMBL9315853

C#CCN(Cc1ncccn1)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 5/20 0.34
LMNA P02545 3/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
NLRP3 Q96P20 1/20 0.33
HPGD P15428 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
BACE1 P56817 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL9315885 0.79 KMT2A (0.38) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL27407129 0.76 MEN1 (0.35) ACHEBCHEMEN1KMT2ASMN1; SMN2
SCHEMBL9316395 0.76 ALDH1A1 (0.35) ACHEBCHEALDH1A1LMNAHSD17B10
SCHEMBL6489633 0.71 KMT2A (0.39) MEN1KMT2ASMN1; SMN2TSHRNPC1
SCHEMBL7518459 0.70 DPP4 (0.39) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL4497637 0.67 CYP1A2 (0.40) MEN1KMT2ASMN1; SMN2GAATSHR
SCHEMBL588637 0.66 KMT2A (0.37) MEN1KMT2ASMN1; SMN2TSHRNPC1
SCHEMBL7314381 0.65 ALDH1A1 (0.33) GAAALDH1A1LMNAHSD17B10
SCHEMBL11453591 0.64 ALDH1A1 (0.38) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL7890254 0.64 CA12 (0.51) SMN1; SMN2GAAALDH1A1LMNAHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5312823-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1994-05-17 US claimed
EP-0520277-A2 7-Azaisoindolinyl-quinolone- and naphthyridoncarboxylic acid derivatives BAYER AG (DE) 1992-12-30 EP claimed
US-5371090-A Bactericides, feed additives BAYER AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed
US-5312823-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1994-05-17 US disclosed
CN-1068114-A 7-azepine iso-dihydro-indole-group-quinolone and naphthyridonecarboxylic derivative BAYER AG (DE) 1993-01-20 CN disclosed
EP-0520277-A2 7-Azaisoindolinyl-quinolone- and naphthyridoncarboxylic acid derivatives BAYER AG (DE) 1992-12-30 EP disclosed