SCHEMBL5592885

SCHEMBL5592885

Cc1cc(C)c2c(c1)C[CH]2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 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
SCHEMBL6914764 0.76 RAPGEF4 (0.32) RAPGEF4ALDH1A1MAPTMEN1KMT2A
SCHEMBL2046871 0.67 RAPGEF4 (0.32) RAPGEF4
SCHEMBL22228249 0.65 RAPGEF4 (0.31) RAPGEF4
SCHEMBL22361203 0.60 RAPGEF4 (0.44) RAPGEF4NPSR1MAPTMEN1KMT2A
SCHEMBL598081 0.60 MEN1 (0.47) RAPGEF4NPSR1MAPTMEN1KMT2A
SCHEMBL31261723 0.60 MEN1 (0.47) RAPGEF4NPSR1MAPTMEN1KMT2A
SCHEMBL1551822 0.58 RAPGEF4 (0.59) RAPGEF4ALDH1A1MAPTKDM4ELMNA
SCHEMBL317299 0.58 RAPGEF4 (0.50) RAPGEF4ALDH1A1MAPTKDM4ELMNA
SCHEMBL28951 0.58 RAPGEF4 (0.59) RAPGEF4ALDH1A1MAPTKDM4ELMNA
SCHEMBL21509795 0.57 HTR2A (0.37) RAPGEF4

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-2007029021-A1 1,5-SUBSTITUTED TETRAZOLES AS THERAPEUTIC COMPOUNDS THE UNIVERSITY OF EDINBURGH (GB) 2007-03-15 WO disclosed