SCHEMBL16800280

SCHEMBL16800280

NCC(CN)Cc1ccc(NCC2CC3C=CC2C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.32
GHSR Q92847 2/20 0.31
TDP1 Q9NUW8 2/20 0.31

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
SCHEMBL23640556 0.75 KDM4E (0.48) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL24575404 0.75 KDM4E (0.48) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL16800285 0.75 CTSS (0.34) KDM4EMEN1KMT2ATDP1
SCHEMBL10526489 0.73 KDM4E (0.43) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL23640555 0.72 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL5377178 0.64 KDM4E (0.47) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL8620807 0.64 KDM4E (0.43) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL11713670 0.62
SCHEMBL539073 0.62
SCHEMBL19832320 0.62

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
US-9056141-B2 Thiol-ene click chemistry for drug conjugates SYNCHEM, INC. (US) 2015-06-16 US disclosed
US-9056141-B2 Thiol-ene click chemistry for drug conjugates SYNCHEM, INC. (US) 2015-06-16 US disclosed