SCHEMBL11869476

SCHEMBL11869476

COc1cc(Cl)ccc1SCC(=O)NN

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
POLB P06746 3/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 3/20 0.52
RXFP1 Q9HBX9 2/20 0.47
PRNP P04156 1/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.44
TRPM5 Q9NZQ8 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL22132855 0.82 KMT2A (0.48) KMT2APOLBMEN1MAPTRXFP1
SCHEMBL11870188 0.81 ALDH1A1 (0.50) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL11866896 0.81 ALDH1A1 (0.60) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL11869892 0.80 MTNR1A (0.55) KMT2APOLBMAPTALDH1A1LMNA
SCHEMBL11869022 0.75 PDE7A (0.50) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL6605160 0.74 CDC25A (0.45) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL4345662 0.73 KDM4E (0.62) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL11867054 0.72 GAA (0.51) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL11093884 0.71 MEN1 (0.50) KMT2APOLBMEN1MAPTRXFP1
SCHEMBL11870549 0.71 ALDH1A1 (0.47) KMT2APOLBMEN1MAPTALDH1A1

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
US-3972905-A FUNGICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 US disclosed