SCHEMBL21189497

SCHEMBL21189497

Sc1ccc(-c2ccc(S)c(C(c3ccccc3)(c3cccc(Br)c3)c3cc(-c4ccc(S)cc4)ccc3S)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.34
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
PTPN1 P18031 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
SCHEMBL21189641 0.88 KIF11 (0.35) KIF11ALDH1A1PTPN1
SCHEMBL21189644 0.77 RXRA (0.47)
SCHEMBL22737895 0.75
SCHEMBL22991339 0.75 TSHR (0.36) ALDH1A1
SCHEMBL21189809 0.73 ESR1 (0.35) KIF11MAPK1PTPN1
SCHEMBL25254976 0.73 KIF11 (0.49) KIF11CA1CA2CA5ACA9
SCHEMBL22934018 0.73 KIF11 (0.49) KIF11CA1CA2CA5ACA9
SCHEMBL21189499 0.72 KIF11 (0.36) KIF11CA1CA2CA5ACA9
SCHEMBL23751568 0.72 ALDH1A1 (0.46) KIF11ALDH1A1MAPK1GABRA1GABRG2
SCHEMBL31235560 0.72 ALDH1A1 (0.46) KIF11ALDH1A1MAPK1GABRA1GABRG2

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
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