SCHEMBL6602897

SCHEMBL6602897

CC(C)(N)CCNC(N)=S

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
IDO1 P14902 1/20 0.34
GRM4 Q14833 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2019755 0.83 ALDH1A1 (0.38) ALDH1A1GRM4KMT2A
SCHEMBL6561073 0.83 ALDH1A1 (0.36) ALDH1A1TSHRIDO1KMT2A
Hydrochloric Acid SCHEMBL27778075 0.79 GRM4 (0.32) GRM4
SCHEMBL3392437 0.76 GRM4 (0.38) TSHRGRM4
SCHEMBL6602602 0.75
SCHEMBL21231185 0.74 ALDH1A1 (0.33) ALDH1A1TSHRIDO1KMT2A
SCHEMBL902119 0.73 EPHX1 (0.39) GRM4
SCHEMBL10678827 0.73 GRM4 (0.39) ALDH1A1GRM4
SCHEMBL11401346 0.73 GRM4 (0.34) GRM4
SCHEMBL27257379 0.73 GAA (0.36) GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102399380-A Polymer sheet for inner liner, polymer laminate for inner liner, and pneumatic tire SUMITOMO RUBBER IND 2012-04-04 CN disclosed
CN-1987684-A Cleaning balde for use in image-forming apparatus SUMITOMO RUBBER IND (JP) 2007-06-27 CN disclosed
EP-1062212-B1 HETEROCYCLYL ANTHRACYCLINONE DERIVATIVES PHARMACIA ITALIA SPA (IT) 2004-05-12 EP disclosed
US-6316451-B1 AMYLOIDOSIS PHARMACIA & UPJOHN S.P.A. (IT) 2001-11-13 US disclosed
EP-1062212-A1 HETEROCYCLYL ANTHRACYCLINONE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 2000-12-27 EP disclosed
WO-1999046253-A1 HETEROCYCLYL ANTHRACYCLINONE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1999-09-16 WO disclosed