SCHEMBL7979537

SCHEMBL7979537

COC(=O)c1c(C)nc2c(c1-c1cccc(Cl)c1Cl)COC2=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
SLC6A3 Q01959 1/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
PLA2G2A P14555 1/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN11 Q06124 2/20 0.37
NR3C2 P08235 1/20 0.37
GPBAR1 Q8TDU6 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
SCHEMBL7979243 0.89 CACNB4 (0.38) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL7978016 0.84 PLA2G2A (0.47) POLBALDH1A1SMN1; SMN2LMNAPLA2G2A
SCHEMBL8802602 0.79 PTPN11 (0.36) PTPN11
SCHEMBL13410042 0.78 GAA (0.47) POLBALDH1A1GAASLC6A3HTT
SCHEMBL30587182 0.77 SMN1; SMN2 (0.49) POLBALDH1A1GAASLC6A3HTT
SCHEMBL6951228 0.77 SMN1; SMN2 (0.49) POLBALDH1A1GAASLC6A3HTT
SCHEMBL6949718 0.75 GAA (0.56) POLBALDH1A1GAASLC6A3HTT
SCHEMBL30686655 0.75 GAA (0.56) POLBALDH1A1GAASLC6A3HTT
SCHEMBL31231118 0.75 GAA (0.56) POLBALDH1A1GAASLC6A3HTT
SCHEMBL7977566 0.74 HTT (0.42) POLBALDH1A1GAASLC6A3HTT

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
US-6194428-B1 BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2001-02-27 US claimed