SCHEMBL9849517

SCHEMBL9849517

O=C1CN(SC(Cl)(Cl)Cl)C(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.38
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL11032370 0.83 CRBN (0.35) CRBN
SCHEMBL5598731 0.78 CRBN (0.43) CRBNALDH1A1TOP2ATOP2BMAPT
SCHEMBL8880520 0.70
SCHEMBL9849560 0.70
SCHEMBL8699047 0.70
SCHEMBL8692835 0.68 CRBN (0.41) CRBNALDH1A1TOP2ATOP2BMAPT
SCHEMBL11420842 0.64 ALDH1A1 (0.40) ALDH1A1LMNATP53CYP3A4HPGD
SCHEMBL6413982 0.64 CRBN (0.41) CRBNALDH1A1LMNATOP2ATOP2B
SCHEMBL10531811 0.64 CRBN (0.41) CRBNALDH1A1TOP2ATOP2BMAPT
SCHEMBL11583227 0.63 TOP2A (0.42) CRBNALDH1A1LMNATOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-87102449-A The application of composition in vulcanizable rubber stock of the N-trichloromethyl thiohydantoin that replaces and two (2,4-diamino-S-triazinyl-6)-protosulphides and this class rubber stock 1987-10-14 CN claimed
EP-0427942-A2 Process for the preparation of s-triazine-sulfenimides and their use Degussa Aktiengesellschaft (DE) 1991-05-22 EP disclosed
CN-1010952-B Use of substituted N-trichloromethyl thiohydantoins in combination with bis (2, 4-diamino-S-triazin-6-yl) -oligosulfides in vulcanizable rubber mixtures and rubber mixtures of this type DEGUSSA (DE) 1990-12-26 CN disclosed
CN-87102449-A The application of composition in vulcanizable rubber stock of the N-trichloromethyl thiohydantoin that replaces and two (2,4-diamino-S-triazinyl-6)-protosulphides and this class rubber stock 1987-10-14 CN disclosed
CN-87102449-A The application of composition in vulcanizable rubber stock of the N-trichloromethyl thiohydantoin that replaces and two (2,4-diamino-S-triazinyl-6)-protosulphides and this class rubber stock 1987-10-14 CN disclosed
CN-87102449-A The application of composition in vulcanizable rubber stock of the N-trichloromethyl thiohydantoin that replaces and two (2,4-diamino-S-triazinyl-6)-protosulphides and this class rubber stock 1987-10-14 CN disclosed
EP-0239813-A2 Use of substituted N-trichloromethylthiohydantoins in combination with bis-(2,4-diamino-s-triazin-6-yl)-oligosulfides in vulcanizable rubber compositions, and such rubber compositions Degussa Aktiengesellschaft (DE) 1987-10-07 EP disclosed
EP-0239813-A2 Use of substituted N-trichloromethylthiohydantoins in combination with bis-(2,4-diamino-s-triazin-6-yl)-oligosulfides in vulcanizable rubber compositions, and such rubber compositions Degussa Aktiengesellschaft (DE) 1987-10-07 EP disclosed
EP-0239813-A2 Use of substituted N-trichloromethylthiohydantoins in combination with bis-(2,4-diamino-s-triazin-6-yl)-oligosulfides in vulcanizable rubber compositions, and such rubber compositions Degussa Aktiengesellschaft (DE) 1987-10-07 EP disclosed