SCHEMBL11701075

SCHEMBL11701075

CC(N=C=S)(N=C=S)C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.47
TAAR1 Q96RJ0 2/20 0.33
RIPK1 Q13546 2/20 0.33
TRPA1 O75762 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
AOC3 Q16853 1/20 0.32
CACNA1F O60840 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2B P18089 1/20 0.32
CHRM3 P20309 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
OPRK1 P41145 1/20 0.32
CACNA1D Q01668 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL483872 0.80 MIF (0.34) MIFTAAR1RIPK1KDM4ELMNA
SCHEMBL8763198 0.76 MIF (0.47) MIFRIPK1TRPA1ALDH1A1CYP3A4
SCHEMBL8763183 0.68 MIF (0.39) MIFTAAR1TRPA1ALDH1A1CYP3A4
SCHEMBL2241061 0.68 MIF (0.39) MIFTAAR1TRPA1ALDH1A1CYP3A4
SCHEMBL6889221 0.68 MIF (0.39) MIFTAAR1TRPA1ALDH1A1CYP3A4
SCHEMBL4624051 0.68 MIF (0.57) MIFTAAR1RIPK1TRPA1ALDH1A1
SCHEMBL5029899 0.68 RIPK1 (0.43) TAAR1RIPK1LMNAAOC3CACNA1F
SCHEMBL563710 0.67 KDM4E (0.40) MIFRIPK1TRPA1KDM4ELMNA
SCHEMBL331446 0.66 MIF (0.36) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL23880379 0.64 RIPK1 (0.40) TAAR1RIPK1LMNAAOC3CACNA1F

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-4041208-A ENERGY ABSORBERS, LAMINATED GLASS SHEETS USEFUL AS AUTOMOBILE WINDSHIELDS PPG INDUSTRIES, INC. (US) 1977-08-09 US disclosed