SCHEMBL13626620

SCHEMBL13626620

CCC(COC)Nc1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
IDO1 P14902 1/20 0.39
LMNA P02545 1/20 0.39
CRHR1 P34998 4/20 0.38
GAA P10253 3/20 0.36
KDM4E B2RXH2 1/20 0.36
DHODH Q02127 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 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
SCHEMBL19334515 0.85 MAPT (0.50) HTTMAPTALDH1A1IDO1LMNA
SCHEMBL24709986 0.81 L3MBTL1 (0.46) TAS1R3TAS1R1ALDH1A1IDO1LMNA
SCHEMBL12674141 0.81 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2HTTMAPT
SCHEMBL12666642 0.79 POLB (0.38) TAS1R3TAS1R1TAS1R2MAPTALDH1A1
SCHEMBL13626615 0.79 KDM4E (0.48) HTTMAPTALDH1A1KDM4ENPC1
SCHEMBL14028554 0.78 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2MAPTALDH1A1
SCHEMBL23643056 0.77 MAPT (0.47) TAS1R3TAS1R1HTTMAPTALDH1A1
SCHEMBL632881 0.77 MAPT (0.47) TAS1R3TAS1R1TAS1R2MAPTALDH1A1
SCHEMBL14930874 0.72 ALDH1A1 (0.50) HTTMAPTALDH1A1LMNAGAA
SCHEMBL11351789 0.71 RAPGEF4 (0.47) HTTMAPTALDH1A1IDO1LMNA

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-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 WO disclosed