SCHEMBL21189700

SCHEMBL21189700

CC(c1ccccc1S)(c1ccccc1S)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.36
CHRM1 P11229 5/20 0.36
KCNH2 Q12809 3/20 0.36
CYP2D6 P10635 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 3/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPRC P08575 1/20 0.32
PTPRF P10586 1/20 0.32
PTPN1 P18031 1/20 0.32
CDC25B P30305 1/20 0.32
KIF11 P52732 1/20 0.31
CHRM3 P20309 3/20 0.31
CHRM4 P08173 2/20 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
SCHEMBL21189702 0.78
SCHEMBL28026239 0.77 ALDH1A1 (0.39) CHRM2CHRM1KCNH2CYP2D6LMNA
SCHEMBL27432645 0.74 KEAP1 (0.48) CHRM2CHRM1KCNH2CYP2D6KEAP1
SCHEMBL22737913 0.72 TP53 (0.30) GAAKMT2A
SCHEMBL21189414 0.72 KIF11 (0.40) LMNAALDH1A1KIF11
SCHEMBL21189703 0.71 CYP19A1 (0.33) CHRM2CHRM1KCNH2CYP2D6KEAP1
SCHEMBL732202 0.69 ALDH1A1 (0.50) CYP2D6LMNAGAANFE2L2TDP1
SCHEMBL9396200 0.69 ALDH1A1 (0.39) TDP1ALDH1A1
SCHEMBL30772132 0.69 ALDH1A1 (0.50) CYP2D6LMNAGAANFE2L2TDP1
SCHEMBL16191106 0.69 NPC1 (0.37) CHRM2CHRM1KCNH2CYP2D6LMNA

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-2019142897-A1 COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD 三菱瓦斯化学株式会社 2019-07-25 WO disclosed