SCHEMBL21189641

SCHEMBL21189641

Sc1ccc(-c2ccc(S)c(C(c3ccccc3)(c3ccccc3)c3cc(-c4ccc(S)cc4)ccc3S)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
PTPN1 P18031 2/20 0.33
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
PTPN5 P54829 1/20 0.31
ALOX5 P09917 1/20 0.31
DCLRE1A Q6PJP8 1/20 0.30
DCLRE1B Q9H816 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
SCHEMBL21189497 0.88 KIF11 (0.34) KIF11PTPN1ALDH1A1
SCHEMBL21189644 0.87 RXRA (0.47) CYP2C9
SCHEMBL22991339 0.85 TSHR (0.36) ALDH1A1TSHR
SCHEMBL21189809 0.83 ESR1 (0.35) KIF11PTPN1CYP2C9
SCHEMBL21189631 0.78 KIF11 (0.40) KIF11PTPN1CYP2C9PTPN5ALOX5
SCHEMBL21189690 0.73 TSHR (0.36) ALDH1A1TSHR
SCHEMBL21189637 0.73 KIF11 (0.31) KIF11
SCHEMBL21189812 0.73 KIF11 (0.31) KIF11
SCHEMBL21189687 0.72 TSHR (0.42) KIF11ALDH1A1TSHR
SCHEMBL9115854 0.72 KIF11 (0.39) KIF11CYP2C9ALDH1A1TSHRALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047457-A1 COMPOUND, RESIN, COMPOSITION AND PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-02-18 US disclosed
EP-3744710-A1 COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-12-02 EP disclosed
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