SCHEMBL6629908

SCHEMBL6629908

NC(=O)c1ccccc1Oc1ccc(Cl)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
CHRM2 P08172 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2A P08913 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GRM8 O00222 1/20 0.47
GRM7 Q14831 1/20 0.47
GRM4 Q14833 1/20 0.47
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LIPE Q05469 1/20 0.44

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
SCHEMBL9364049 0.87 GRM8 (0.48) MEN1CYP3A4KMT2AGRM8GRM7
SCHEMBL11136047 0.81 KMT2A (0.51) MAPTMEN1LMNAKMT2AGRM8
SCHEMBL6103933 0.80 ALDH1A1 (0.50) CTNNB1MAPTMEN1NR1I2LMNA
SCHEMBL9364620 0.80 LMNA (0.51) MAPTMEN1LMNAKMT2AGRM8
SCHEMBL10443391 0.80 GRM8 (0.43) MAPTMEN1LMNACYP3A4KMT2A
SCHEMBL7428731 0.78 CTNNB1 (0.57) CTNNB1MAPTMEN1NR1I2LMNA
SCHEMBL31414009 0.78 CTNNB1 (0.57) CTNNB1MAPTMEN1NR1I2LMNA
SCHEMBL8827742 0.77 GRM8 (0.43) MAPTMEN1LMNAKMT2AGRM8
SCHEMBL11135267 0.76 KMT2A (0.48) MAPTMEN1NR1I2LMNAKMT2A
SCHEMBL4155484 0.76 CTNNB1 (0.74) CTNNB1MAPTMEN1NR1I2LMNA

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-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed