SCHEMBL9711577

SCHEMBL9711577

O=C1CC(c2ccccc2)NC(=O)C1C(=O)c1ccccc1I

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
LDHA P00338 3/20 0.36
LDHB P07195 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CTRC Q99895 1/20 0.34
BRD4 O60885 1/20 0.34
PTPRF P10586 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL9711543 0.85 LDHA (0.44) SMN1; SMN2LDHALDHBLMNABRD4
SCHEMBL9711629 0.84 ALDH1A1 (0.38) SMN1; SMN2LDHALDHBMEN1KMT2A
SCHEMBL9711646 0.84 ITGB1 (0.42) SMN1; SMN2LDHALDHBMEN1KMT2A
SCHEMBL9711557 0.84 ALDH1A1 (0.39) SMN1; SMN2LDHALDHBMEN1KMT2A
SCHEMBL9711454 0.82 MAPT (0.44) SMN1; SMN2LDHALDHBMEN1KMT2A
SCHEMBL9711520 0.82 SMN1; SMN2 (0.37) SMN1; SMN2LDHALDHBMEN1KMT2A
SCHEMBL9711787 0.81 LDHA (0.41) SMN1; SMN2LDHAALDH1A1
SCHEMBL9711749 0.81 LMNA (0.38) SMN1; SMN2LMNAALDH1A1MGLL
SCHEMBL9711636 0.80 KMT2A (0.41) MEN1KMT2AALDH1A1MGLL
SCHEMBL9711615 0.80 LDHA (0.42) SMN1; SMN2LDHALDHBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed