SCHEMBL9746177

SCHEMBL9746177

CC(C)[Sn](Cl)(c1ccccc1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CA4 P22748 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
TAAR1 Q96RJ0 4/20 0.31
SLC6A2 P23975 2/20 0.31
MAOA P21397 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ORAI1 Q96D31 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
SCHEMBL9745648 0.79 TDP1 (0.33) TDP1ALDH1A1KDM4ELMNATSHR
SCHEMBL29819752 0.79 TDP1 (0.33) TDP1ALDH1A1KDM4ELMNATSHR
SCHEMBL9746483 0.77 TDP1 (0.32) TDP1ALDH1A1KDM4ELMNATSHR
SCHEMBL25291459 0.72 TDP1 (0.36) TDP1ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL1452401 0.72 TDP1 (0.36) TDP1ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL9746333 0.72 RIPK1 (0.31)
SCHEMBL9746053 0.72 TP53 (0.32) LMNATAAR1SLC6A2MAOASLC6A4
SCHEMBL6908951 0.69 TSHR (0.37) ALDH1A1LMNATSHRCA4CYP2A6
SCHEMBL8147062 0.69 TSHR (0.37) ALDH1A1LMNATSHRCA4CYP2A6
SCHEMBL9746401 0.69 TSHR (0.37) ALDH1A1LMNATSHRCA4CYP2A6

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
US-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed