SCHEMBL8338863

SCHEMBL8338863

CCC(CCC(C(=O)NC(=S)NC)c1ccc(C)cc1)N=S(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL8339878 0.92 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL8340341 0.90 KDM4E (0.36) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL8335548 0.89 KDM4E (0.35) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL8341296 0.88 TDP1 (0.40) ALDH1A1KMT2AKDM4ELMNAGAA
SCHEMBL8338337 0.86 GAA (0.35) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL8338207 0.81 TDP1 (0.37) ALDH1A1KDM4ELMNAGAASMN1; SMN2
SCHEMBL8339028 0.80 GAA (0.33) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL8340160 0.79 MAPT (0.37) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL8338140 0.79 MMP9 (0.38) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL8338089 0.79 TDP1 (0.37) ALDH1A1MEN1KMT2AKDM4ELMNA

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
US-5977177-A Substituted benzenesulfonylureas and-thioureas, processes for their preparation and use of pharmaceutical preparations based on these compounds, and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-02 — — US disclosed
US-5880155-A TREATMENT OF CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 — — US disclosed
Send feedback