SCHEMBL11051497

SCHEMBL11051497

Cc1onc(-c2ccccc2)c1-c1[nH]c2ccccc2c1C(=O)C(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
CHRM3 P20309 2/20 0.48
GAA P10253 1/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 2/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL11056340 0.91 KMT2A (0.53) TSHRGAAKMT2ALMNASMN1; SMN2
SCHEMBL10979812 0.85 GAA (0.46) TSHRCHRM3GAAKMT2ALMNA
SCHEMBL11054892 0.81 KMT2A (0.51) GAAKMT2ALMNAMEN1HTT
SCHEMBL10928910 0.80 TSHR (0.50) TSHRCHRM3HTTALDH1A1HSD17B10
SCHEMBL10832448 0.80 KMT2A (0.53) GAAKMT2ALMNAMEN1HTT
SCHEMBL10832100 0.80 ALDH1A1 (0.50) KMT2ALMNAMEN1HTTMAPT
SCHEMBL1559433 0.77 GAA (0.74) TSHRCHRM3GAAKMT2ALMNA
SCHEMBL10981870 0.77 GAA (0.47) GAAKMT2ALMNASMN1; SMN2MEN1
SCHEMBL10983498 0.76 GAA (0.47) GAAKMT2ALMNASMN1; SMN2MEN1
SCHEMBL10958599 0.75 PTGS2 (0.43) TSHRKMT2ALMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4453001-A ANTIDIABETIC AGENTS SANDOZ, INC. (US) 1984-06-05 US disclosed
US-4415568-A ANTIDIABETIC AND HYPOGLYCEMIC AGENTS SANDOZ, INC. (US) 1983-11-15 US disclosed
US-4336378-A ANTIDIABETIC AGENTS SANDOZ, INC. (US) 1982-06-22 US disclosed