SCHEMBL18656114

SCHEMBL18656114

CC(C)n1c(S)c(S)n(C(C)C)c1=S

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HCRTR1 O43613 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 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
SCHEMBL27003510 0.73 ALDH1A1 (0.37) ALDH1A1KDM4EHCRTR1GAAMAPT
SCHEMBL25061686 0.69 ALDH1A1 (0.44) ALDH1A1KDM4EHCRTR1GAAMAPT
SCHEMBL9798196 0.67 KDM4E (0.33) ALDH1A1KDM4EHCRTR1GAAMAPT
SCHEMBL20643699 0.67 KDM4E (0.33) ALDH1A1KDM4EHCRTR1GAAMAPT
SCHEMBL24961530 0.61 ALDH1A1 (0.38) ALDH1A1KDM4EHCRTR1GAAMAPT
SCHEMBL21500472 0.60 ALDH1A1 (0.41) ALDH1A1KDM4EHCRTR1GAAMAPT
SCHEMBL21106026 0.55 LPO (0.38) ALDH1A1
SCHEMBL23695312 0.54 ALDH1A1 (0.32) ALDH1A1KDM4EHCRTR1GAAMAPT
SCHEMBL1318483 0.54 ALDH1A1 (0.42) ALDH1A1KDM4EHCRTR1GAAMAPT
SCHEMBL23685867 0.50 ALDH1A1 (0.30) ALDH1A1

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-2101986-B1 DITHIOLENE METAL COMPLEX COLORLESS IR ABSORBERS BASF SE (DE) 2017-03-22 EP disclosed