SCHEMBL4746784

SCHEMBL4746784

Nc1cc(Br)cc2c1C(=O)N(Cc1ccc(Cl)cc1Cl)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 4/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
P2RX7 Q99572 3/20 0.38
PTPN1 P18031 1/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4518262 0.77 AKR1B1 (0.45) KDM4ESMN1; SMN2CHRM5
SCHEMBL11081773 0.76 MAPT (0.58) CA12CA1CA2CA9MAPT
SCHEMBL11841629 0.76 CA12 (0.51) CA12CA1CA2CA9MAPK1
SCHEMBL4748502 0.75 IDO1 (0.41) KDM4EALDH1A1SMN1; SMN2P2RX7HTT
SCHEMBL7563897 0.74 CA12 (0.51) CA12CA1CA2CA9MAPK1
SCHEMBL23985873 0.72 PARK7 (0.59) CA12CA1CA2CA9MAPT
SCHEMBL18669089 0.71 KDM4E (0.67) MAPTMAPK1KDM4EALDH1A1LMNA
SCHEMBL8311470 0.71 ALDH1A1 (0.52) CA12CA1CA2CA9MAPT
SCHEMBL14723531 0.71 CHRM5 (0.53) MAPTMAPK1ALDH1A1TSHRHTT
SCHEMBL4749291 0.68 CA12 (0.51) CA12CA1CA2CA9MAPK1

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-2008124518-A1 OXO-DIHYDROISOINDOLE SULFONAMIDE COMPOUNDS AS MODULATORS OF THE CCK2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-16 WO claimed
WO-2008124518-A1 OXO-DIHYDROISOINDOLE SULFONAMIDE COMPOUNDS AS MODULATORS OF THE CCK2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-16 WO disclosed