SCHEMBL5782809

SCHEMBL5782809

Cc1ccc2c(c1)COCN2C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.O=c1nc2ccccc2co1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
LMNA P02545 4/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 3/20 0.36
GRM5 P41594 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
POLB P06746 2/20 0.35

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
SCHEMBL5783278 0.94 PKM (0.42) PKMLMNAHTTSMN1; SMN2NPSR1
SCHEMBL5784419 0.92 MAPT (0.41) LMNAHTTNPSR1USP2TSHR
SCHEMBL5781876 0.92 LMNA (0.40) PKMLMNAHTTSMN1; SMN2USP2
SCHEMBL5785236 0.91 PKM (0.44) PKMLMNAHTTSMN1; SMN2NPSR1
SCHEMBL5814802 0.91 LMNA (0.39) LMNAHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL5786597 0.89 RXFP1 (0.41) PKMLMNAHTTSMN1; SMN2NPSR1
SCHEMBL5782163 0.89 NPSR1 (0.37) PKMLMNAHTTSMN1; SMN2NPSR1
SCHEMBL5784990 0.88 SMN1; SMN2 (0.38) PKMLMNAHTTSMN1; SMN2NPSR1
SCHEMBL5786035 0.88 POLB (0.38) PKMLMNAHTTSMN1; SMN2NPSR1
SCHEMBL5784257 0.87 SMN1; SMN2 (0.42) PKMLMNAHTTSMN1; SMN2NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO claimed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP disclosed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO disclosed