SCHEMBL9562196

SCHEMBL9562196

COC(=O)N1C(C)=CC(c2ccccc2)C=C1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
BCHE P06276 1/20 0.42
ABCB1 P08183 1/20 0.40
KIF11 P52732 1/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL11865252 0.80 GUSB (0.47) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL10883521 0.78 ALDH1A1 (0.45) P2RX4BCHELMNATSHRALDH1A1
SCHEMBL11442155 0.74 MAPT (0.50) KMT2AMEN1ABCB1POLBLMNA
SCHEMBL7190779 0.69 MEN1 (0.45) P2RX4KMT2AMEN1BCHEABCB1
SCHEMBL10264950 0.66 MEN1 (0.60) KMT2AMEN1KIF11POLBLMNA
SCHEMBL9102827 0.66 MEN1 (0.53) KMT2AMEN1ABCB1KIF11POLB
SCHEMBL2422542 0.63 P2RX4 (0.56) P2RX4BCHEPOLBALDH1A1
SCHEMBL31073550 0.63 KCNH2 (0.56) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL5963538 0.62 ELANE (0.51) P2RX4KMT2AMEN1ABCB1KIF11
SCHEMBL6802919 0.62 GAA (0.47) KMT2AMEN1LMNATSHRALDH1A1

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
EP-0537975-A1 Positive-acting photothermographic materials MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-04-21 EP disclosed