SCHEMBL21134474

SCHEMBL21134474

NCCNC[C@H](CN)CCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.43
CA6 P23280 5/20 0.43
CA7 P43166 5/20 0.43
CA9 Q16790 5/20 0.43
CA14 Q9ULX7 5/20 0.43
CA5B Q9Y2D0 5/20 0.43
MEN1 O00255 2/20 0.43
RECQL P46063 2/20 0.43
KMT2A Q03164 2/20 0.43
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA5A P35218 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
CA3 P07451 3/20 0.41
ALOX15 P16050 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
CA1 P00915 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL18158094 0.87 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL18158055 0.87 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL18160822 0.82 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL14488283 0.78 CA12 (0.41) CA12CA6CA7CA9CA14
SCHEMBL9001486 0.77 CA12 (0.45) CA12CA6CA7CA9CA14
SCHEMBL11749443 0.77 ALDH1A1 (0.41) CA12CA6CA7CA9CA14
SCHEMBL21747587 0.76
SCHEMBL20416502 0.76 ALDH1A1 (0.57) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL21409542 0.75
SCHEMBL13218683 0.73 CA12 (0.41) CA12CA6CA7CA9CA14

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
US-10347187-B2 Display panel and electronic apparatus including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-09 US disclosed