SCHEMBL2730713

SCHEMBL2730713

Oc1ccc(-c2onc(-c3c(F)cccc3Cl)c2-c2ccccc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 2/20 0.40
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
DUSP3 P51452 1/20 0.39
PTGS1 P23219 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
SCN9A Q15858 1/20 0.39
ATM Q13315 2/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2730611 0.95 LMNA (0.45) LMNAMAPTKDM4ENPSR1HPGD
SCHEMBL2730225 0.91 LMNA (0.47) LMNAMAPTKDM4ENPSR1HPGD
SCHEMBL2730710 0.89 KDM4E (0.47) LMNAMAPTKDM4ENPSR1KMT2A
SCHEMBL10079940 0.86 LMNA (0.43) LMNAMAPTHPGDTSHRMAPK1
SCHEMBL2732046 0.84 PTGS1 (0.43) LMNAMAPTTSHRKMT2AMEN1
SCHEMBL2730709 0.82 PTGS1 (0.47) LMNAMAPTHPGDTSHRMAPK1
SCHEMBL2732451 0.81 MAPT (0.47) LMNAMAPTKDM4ENPSR1TSHR
SCHEMBL2732508 0.81 PTGS1 (0.45) MAPTTSHRKMT2AMEN1ALDH1A1
SCHEMBL2730667 0.81 NPC1 (0.47) LMNAMAPTNPSR1HPGDMAPK1
SCHEMBL2729734 0.81 LMNA (0.43) LMNAMAPTHPGDTSHRMAPK1

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-2012052395-A1 ISOXAZOLE DERIVATIVES USED AS OESTROGEN MODULATORS N. V. ORGANON (NL) 2012-04-26 WO disclosed
WO-2012052395-A1 ISOXAZOLE DERIVATIVES USED AS OESTROGEN MODULATORS N. V. ORGANON (NL) 2012-04-26 WO disclosed