SCHEMBL11860

SCHEMBL11860

Cc1cccc(CN2CCS(=O)(=O)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
LMNA P02545 1/20 0.62
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 4/20 0.56
HTT P42858 2/20 0.56
MAPT P10636 1/20 0.54
POLB P06746 1/20 0.51
FAAH O00519 1/20 0.51
CHRM2 P08172 1/20 0.49
CHRM3 P20309 1/20 0.49

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
SCHEMBL13981948 0.84 LMNA (0.67) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL10076573 0.81 MC4R (0.65) LMNAALDH1A1KDM4EHTTMAPT
SCHEMBL2262681 0.81 ALDH1A1 (0.57) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL12981 0.81 HRH3 (0.69) ALDH1A1KDM4EHTTMAPT
SCHEMBL31546411 0.81 HRH3 (0.69) ALDH1A1KDM4EHTTMAPT
SCHEMBL18423019 0.81 LMNA (0.62) MEN1KMT2ALMNAFAAHCHRM2
SCHEMBL18946202 0.81 LMNA (0.62) MEN1KMT2ALMNAFAAH
SCHEMBL2634372 0.81 SMN1; SMN2 (0.66) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL13981946 0.80 LMNA (0.58) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL12449574 0.80 LMNA (0.74) MEN1KMT2ALMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3642209-B1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC (US) 2023-11-29 EP disclosed
WO-2017093544-A1 ALKYNYL PHOSPHINE GOLD COMPLEXES FOR TREATING BACTERIAL INFECTIONS AUSPHERIX LIMITED (GB) 2017-06-08 WO disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed