SCHEMBL8076140

SCHEMBL8076140

CC(=NO)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 3/20 0.49
USP2 O75604 2/20 0.49
ALOX15 P16050 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GABRA1 P14867 6/20 0.45
GABRG2 P18507 6/20 0.45
GABRB3 P28472 6/20 0.45
GABRB2 P47870 4/20 0.45
POLB P06746 3/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL3133251 0.81 SMN1; SMN2 (0.61) MEN1KMT2ATSHRCASP1SMN1; SMN2
SCHEMBL8065539 0.80 SMN1; SMN2 (0.71) MEN1KMT2ATSHRCASP1SMN1; SMN2
SCHEMBL11801897 0.79 TSHR (0.53) MEN1KMT2ATSHRCASP1SMN1; SMN2
Acetic Acid SCHEMBL8204291 0.79 KMT2A (0.86) MEN1KMT2ATSHRCASP1SMN1; SMN2
SCHEMBL11805301 0.79 TSHR (0.53) MEN1KMT2ATSHRCASP1SMN1; SMN2
SCHEMBL11523978 0.78 CES2 (0.63) KMT2ATSHRALDH1A1MAPTKDM4E
SCHEMBL10816398 0.78 CES2 (0.63) KMT2ATSHRALDH1A1MAPTKDM4E
SCHEMBL10816402 0.78 CES2 (0.63) KMT2ATSHRALDH1A1MAPTKDM4E
Acetic Acid SCHEMBL9470236 0.77 MEN1 (0.61) MEN1KMT2ATSHRCASP1SMN1; SMN2
Acetic Acid SCHEMBL9470199 0.77 MEN1 (0.61) MEN1KMT2ATSHRCASP1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876344-B1 PYRIDYLACETIC ACID DERIVATIVES, METHOD AND INTERMEDIATE PRODUCTS FOR PRODUCING THEM AND AGENTS CONTAINING THEM BASF AG (DE) 2000-08-23 EP disclosed
US-5965587-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-10-12 US disclosed
EP-0876344-A1 PYRIDYLACETIC ACID DERIVATIVES, METHOD AND INTERMEDIATE PRODUCTS FOR PRODUCING THEM AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1998-11-11 EP disclosed
WO-1997017328-A1 PYRIDYLACETIC ACID DERIVATIVES, METHOD AND INTERMEDIATE PRODUCTS FOR PRODUCING THEM AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1997-05-15 WO disclosed