SCHEMBL8720568

SCHEMBL8720568

CC(S)c1nnc2ccccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
ALDH1A1 P00352 6/20 0.47
LMNA P02545 1/20 0.44
HSD17B10 Q99714 4/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
MAPK14 Q16539 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
USP7 Q93009 1/20 0.36
RAB9A P51151 2/20 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
SCHEMBL2600740 0.85 KDM4E (0.50) KDM4EALDH1A1LMNAHSD17B10KMT2A
SCHEMBL26831413 0.81 KDM4E (0.47) KDM4EALDH1A1LMNAHSD17B10KMT2A
SCHEMBL8720509 0.81 LMNA (0.51) KDM4EALDH1A1LMNAHSD17B10KMT2A
SCHEMBL20053799 0.79 KDM4E (0.49) KDM4EALDH1A1LMNAHSD17B10KMT2A
SCHEMBL12797606 0.79 KDM4E (0.49) KDM4EALDH1A1LMNAHSD17B10KMT2A
SCHEMBL19861782 0.77 KDM4E (0.50) KDM4EALDH1A1LMNAHSD17B10KMT2A
SCHEMBL21237806 0.76 KDM4E (0.50) KDM4EALDH1A1LMNAHSD17B10KMT2A
SCHEMBL19297200 0.76 KDM4E (0.48) KDM4EALDH1A1LMNAHSD17B10KMT2A
SCHEMBL19297194 0.74 KDM4E (0.44) KDM4EALDH1A1LMNAHSD17B10KMT2A
SCHEMBL22958087 0.73 KDM4E (0.43) KDM4EALDH1A1LMNAHSD17B10KMT2A

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
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO disclosed