SCHEMBL7048181

SCHEMBL7048181

C=CCc1cccc2c1S2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
AKR1B1 P15121 1/20 0.37
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 3/20 0.31
HSD17B10 Q99714 2/20 0.31
CASP1 P29466 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL7875601 0.96 GABRA1 (0.44) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL10513618 0.79 GABRA1 (0.38) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL2885407 0.73 GABRA1 (0.39) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL246327 0.72 NOX1 (0.48) GABRA1GABRB2KMT2AMEN1MAPT
SCHEMBL16781776 0.72 ALDH1A1 (0.39) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL5824091 0.72 GABRA1 (0.58) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL173300 0.71 GABRA1 (0.56) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL29763626 0.71 GABRA1 (0.56) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL31619949 0.70 GABRA1 (0.56) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL18136 0.70 GABRA1 (0.56) GABRA1GABRB2AKR1B1KMT2AMEN1

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
US-20040115501-A1 Proton conductor and electrochemical device using the same SONY CORPORATION (JP) 2004-06-17 US disclosed
EP-1411568-A1 PROTON CONDUCTOR AND ELECTROCHEMICAL DEVICE USING THE SAME Sony Corporation (JP) 2004-04-21 EP disclosed