SCHEMBL4020602

SCHEMBL4020602

COC(=O)c1cc2ccccc2n1-c1c[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.50
CREBBP Q92793 1/20 0.50
GPR84 Q9NQS5 1/20 0.44
MAPT P10636 2/20 0.43
ALPL P05186 1/20 0.43
HTT P42858 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PDE1C Q14123 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.40
PRKCA P17252 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
KIF11 P52732 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.38
SIRT2 Q8IXJ6 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
SCHEMBL4024254 0.78 CNR2 (0.47) HTTRAB9AALDH1A1
SCHEMBL27782461 0.77 MTNR1A (0.47) MAPTMTNR1AMTNR1BKMT2AMEN1
SCHEMBL27946328 0.76 KIF11 (0.54) NR4A2MAPTMTNR1AMTNR1BKMT2A
SCHEMBL31066563 0.76 KMT2A (0.48) MAPTMTNR1AMTNR1BKMT2AALDH1A1
SCHEMBL15466939 0.74 ALDH1A1 (0.69) NR4A2MAPTMTNR1AMTNR1BKMT2A
SCHEMBL28414606 0.71 ALDH1A1 (0.51) MAPTMTNR1AMTNR1BKMT2AMEN1
SCHEMBL19924468 0.71 CA12 (0.41) GPR84MAPTKMT2AMEN1PRKCA
SCHEMBL3968965 0.70 ALDH1A1 (0.54) MAPTHTTMTNR1AMTNR1BKMT2A
SCHEMBL28411672 0.70 ALDH1A1 (0.54) MAPTHTTMTNR1AMTNR1BKMT2A
SCHEMBL27859101 0.70 ALDH1A1 (0.40) MAPTKMT2AMEN1RAB9AALDH1A1

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-2066318-A2 OXINDOLE DERIVATIVES AS ANTICANCER AGENTS F. Hoffmann-Roche AG (CH) 2009-06-10 EP disclosed
WO-2008034736-A2 OXINDOLE DERIVATIVES AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 WO disclosed