SCHEMBL21112166

SCHEMBL21112166

PC(CCCc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.50
KCNH2 Q12809 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8679559 0.82 CSNK1E (0.47) SIGMAR1
SCHEMBL1627645 0.80 CSNK1E (0.54) SIGMAR1
SCHEMBL9007218 0.79 EPHX1 (0.55) SIGMAR1KCNH2
SCHEMBL4750483 0.77 SIGMAR1 (0.46) SIGMAR1KCNH2
SCHEMBL197085 0.75 KCNH2 (0.50) SIGMAR1KCNH2
SCHEMBL6286870 0.75 SIGMAR1 (0.55) SIGMAR1
SCHEMBL8634822 0.75 SIGMAR1 (0.47) SIGMAR1
SCHEMBL8634823 0.75 EPHX1 (0.64) SIGMAR1
SCHEMBL9556315 0.75 TRPA1 (0.53) SIGMAR1
Bromide SCHEMBL10928757 0.73 SIGMAR1 (0.50) SIGMAR1KCNH2

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-3501546-A2 CYSTEINE DRUG CONJUGATES AND USE OF SAME Seattle Genetics, Inc. (US) 2019-06-26 EP disclosed