SCHEMBL4311981

SCHEMBL4311981

COC(=O)c1cc(C=O)cn1CC(=O)c1ccc(F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
CASP3 P42574 1/20 0.42
KMT2A Q03164 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
THRB P10828 1/20 0.37
ERN1 O75460 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
HTT P42858 1/20 0.36
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 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
SCHEMBL4305020 0.85 LMNA (0.46) LMNAMAPTMEN1CASP3KMT2A
SCHEMBL4305907 0.85 LMNA (0.38) LMNAMAPTALDH1A1KDM4EERN1
SCHEMBL4308531 0.84 LMNA (0.43) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL4306380 0.83 CYP1A2 (0.43) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL4306412 0.82 KMT2A (0.42) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL4306435 0.79 CYP1A2 (0.41) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL4302800 0.78 CDYL2 (0.49) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL4301396 0.77 KMT2A (0.43) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4304995 0.77 CYP1A2 (0.43) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL4303399 0.75 LMNA (0.37) LMNAMAPTMEN1CASP3KMT2A

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
WO-2009130231-A1 PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-10-29 WO disclosed
WO-2009130231-A1 PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-10-29 WO disclosed