SCHEMBL28064073

SCHEMBL28064073

C=CCc1cccc(N)c1CC=C.O=S(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
IMPDH2 P12268 1/20 0.37
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
AKR1B1 P15121 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 3/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
MTNR1A P48039 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 2/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL1570705 0.93 GABRA1 (0.47) GABRA1GABRB2IMPDH2HDAC3HDAC1
Ethylene SCHEMBL27977914 0.91 GABRA1 (0.46) GABRA1GABRB2IMPDH2HDAC3HDAC1
Hydrochloric Acid SCHEMBL4050779 0.91 GABRA1 (0.46) GABRA1GABRB2IMPDH2HDAC3HDAC1
SCHEMBL5915091 0.83 GABRA1 (0.46) GABRA1GABRB2IMPDH2HDAC3HDAC1
SCHEMBL10709835 0.80 IMPDH2 (0.46) GABRA1GABRB2IMPDH2ALDH1A1HSD17B10
SCHEMBL19138017 0.78 AKR1B1 (0.42) GABRA1GABRB2IMPDH2HDAC3HDAC1
SCHEMBL18136 0.78 GABRA1 (0.56) GABRA1GABRB2AKR1B1ALDH1A1HSD17B10
SCHEMBL1646866 0.77 GABRA1 (0.49) GABRA1GABRB2IMPDH2HDAC3HDAC1
SCHEMBL11871141 0.76 GABRA1 (0.40) GABRA1GABRB2IMPDH2AKR1B1ALDH1A1
SCHEMBL27509000 0.76 HTR2A (0.41) GABRA1GABRB2IMPDH2POLB

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
CN-105473602-A Production process of fondaparinux sodium SCINOPHARM TAIWAN LTD 2016-04-06 CN disclosed