SCHEMBL4805597

SCHEMBL4805597

CC(C)(C)OC(=O)Nc1cccc2c[nH]cc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
METAP1 P53582 1/20 0.40
PLAU P00749 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
NQO2 P16083 1/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
LCK P06239 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
MAPK14 Q16539 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
SCHEMBL8507135 0.84 PLAU (0.54) ALDH1A1HPGDPLAULMNAPOLB
SCHEMBL2396852 0.83 ALDH1A1 (0.63) ALDH1A1HPGDGAARAB9AMEN1
SCHEMBL31680675 0.77 TRPV1 (0.64) NQO2RAB9AMEN1KMT2AKDM4E
SCHEMBL6101638 0.77 NQO2 (0.51) RXFP1ALDH1A1HPGDPOLBNQO2
SCHEMBL487254 0.77 TRPV1 (0.64) NQO2RAB9AMEN1KMT2AKDM4E
SCHEMBL2880191 0.77 LMNA (0.54) RXFP1ALDH1A1HPGDMETAP1LMNA
SCHEMBL3246360 0.76 TRPV1 (0.63) ALDH1A1LMNAKMT2AKDM4ETRPV1
SCHEMBL421016 0.76 MAPK14 (0.47) RXFP1ALDH1A1HPGDPLAUPOLB
SCHEMBL30077817 0.76 RXFP1 (0.46) RXFP1ALDH1A1HPGDPLAULMNA
SCHEMBL3729968 0.76 ALDH1A1 (0.45) RXFP1ALDH1A1HPGDPLAUNQO2

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