SCHEMBL21675733

SCHEMBL21675733

CNCC1CCC(CCN)CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
SAT1 P21673 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
SCHEMBL23131363 0.92 SIGMAR1 (0.50) SIGMAR1
SCHEMBL273581 0.82
SCHEMBL6019205 0.82 SAT1 (0.39) SIGMAR1TDP1L3MBTL1SAT1
SCHEMBL13165399 0.82 SAT1 (0.39) SIGMAR1TDP1L3MBTL1SAT1
SCHEMBL21675732 0.81 SIGMAR1 (0.42) SIGMAR1
SCHEMBL14416207 0.80 NCF1 (0.42) SIGMAR1TDP1L3MBTL1SAT1
SCHEMBL8888333 0.80 NCF1 (0.42) SIGMAR1TDP1L3MBTL1SAT1
Hydrochloric Acid SCHEMBL1165197 0.79
SCHEMBL11750040 0.79 SIGMAR1 (0.43) SIGMAR1
SCHEMBL25365 0.79

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
EP-3693022-A2 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS Reiley Pharmaceuticals, Inc. (US) 2020-08-12 EP disclosed
EP-3242688-B1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS REILEY PHARMACEUTICALS INC (US) 2020-01-29 EP disclosed