SCHEMBL7500065

SCHEMBL7500065

CSc1ncc(CBr)cn1.CSc1ncc(CO)cn1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.32
POLB P06746 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL485902 0.90 LMNA (0.37) LMNAKMT2AMEN1HTTPOLB
SCHEMBL2222860 0.90 LMNA (0.34) LMNAKMT2AMEN1
SCHEMBL27573128 0.74 TDP1 (0.34) LMNAKMT2AMEN1
SCHEMBL9908382 0.70 CA12 (0.37) KMT2AMEN1POLB
SCHEMBL6477427 0.69 LOXL2 (0.33) LMNAKMT2AMEN1
SCHEMBL4378015 0.69 MEN1 (0.36) LMNAKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL6526925 0.67 KDM4E (0.33) LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL22468715 0.67 MEN1 (0.35) LMNAKMT2AMEN1
SCHEMBL6599401 0.65 KDM4E (0.38) KMT2AMEN1HTTPOLBTHRB
SCHEMBL14451743 0.65 LMNA (0.38) LMNAKMT2AMEN1HTT

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-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed