SCHEMBL7973649

SCHEMBL7973649

COC(=O)C(=N)C(=O)Cc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.49
EGFR P00533 3/20 0.46
ERBB2 P04626 3/20 0.46
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.42
CASP3 P42574 1/20 0.42
ATM Q13315 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
POLB P06746 1/20 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
SCHEMBL7633403 0.86 L3MBTL1 (0.54) L3MBTL1KDM4EGLAEGFRERBB2
SCHEMBL13351790 0.83 EGFR (0.46) KDM4EEGFRERBB2KMT2ALMNA
SCHEMBL8215730 0.76 L3MBTL1 (0.51) L3MBTL1KDM4EGLAEGFRERBB2
SCHEMBL10732366 0.76 HTT (0.48) L3MBTL1KDM4EGLAALDH1A1LMNA
SCHEMBL14948252 0.74 L3MBTL1 (0.49) L3MBTL1KDM4EGLAEGFRERBB2
SCHEMBL502785 0.74 CYP4F2 (0.63) L3MBTL1KDM4EGLAEGFRERBB2
Hydrochloric Acid SCHEMBL14935731 0.73 L3MBTL1 (0.47) L3MBTL1KDM4EGLAEGFRERBB2
SCHEMBL7636374 0.72 KMT2A (0.54) L3MBTL1KDM4EGLAEGFRERBB2
SCHEMBL7635254 0.71 LMNA (0.48) L3MBTL1KDM4EGLAEGFRERBB2
SCHEMBL5536942 0.70 CYP4F2 (0.58) L3MBTL1KDM4EGLAEGFRERBB2

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-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed