SCHEMBL19914219

SCHEMBL19914219

Cc1nc2ncc(C(=O)OCc3ccccc3)cc2o1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
KMT2A Q03164 3/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
LMNA P02545 3/20 0.46
ALDH1A1 P00352 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
HPGD P15428 1/20 0.43
JMJD6 Q6NYC1 1/20 0.42
TSHR P16473 2/20 0.41

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
SCHEMBL19914214 0.81 RAF1 (0.57) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL19914218 0.79 TDP1 (0.48) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL19914221 0.76 POLB (0.47) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL25825736 0.76 TDP1 (0.57) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL28566903 0.75 LMNA (0.57) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL20305861 0.75 TDP1 (0.64) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL8626786 0.75 MAOB (0.47) KMT2ALMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL20830744 0.74 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL6741897 0.73 MGAM (0.60) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL18607178 0.72 TSHR (0.54) TDP1KMT2ASLC6A2SLC6A3LMNA

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
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 WO disclosed