SCHEMBL20960573

SCHEMBL20960573

CC1(c2ccccc2)SC(c2ccccc2)SC(c2ccccc2)S1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 10/20 0.35
▸ MAOA P21397 10/20 0.35
▸ MAOB P27338 10/20 0.35
▸ CHRNA7 P36544 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 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
SCHEMBL20960545 1.00 KDM1A (0.35) KDM1AMAOAMAOBCHRNA7ALDH1A1
SCHEMBL11981308 0.72 TSHR (0.39) KDM1AMAOAMAOBLMNAGAA
SCHEMBL10957391 0.64 KDM1A (0.33) KDM1AMAOAMAOBCHRNA7GAA
SCHEMBL11640241 0.63 BACE1 (0.44) MAOAMAOBALDH1A1LMNAGAA
SCHEMBL11054309 0.63 KDM1A (0.57) KDM1AMAOAMAOB
SCHEMBL10573928 0.63 KDM1A (0.57) KDM1AMAOAMAOB
SCHEMBL10573931 0.63 KDM1A (0.57) KDM1AMAOAMAOB
SCHEMBL18919015 0.62 — —
SCHEMBL11667366 0.62 MAOB (0.35) KDM1AMAOAMAOBALDH1A1LMNA
SCHEMBL11884295 0.61 HTR2A (0.37) KDM1AMAOAMAOBCHRNA7LMNA

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
EP-2650274-B1 A thionation process and a thionating agent VIRONOVA THIONATION AB (SE) 2019-05-01 — — EP disclosed
Send feedback