SCHEMBL8527732

SCHEMBL8527732

COc1ccccc1C(C)=C(C)C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
STAT3 P40763 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
CYP19A1 P11511 1/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL7308873 0.85 CTSD (0.43) CTSDCA1CA2CA12CA4
SCHEMBL12762770 0.80 NPC1 (0.38) KMT2AMEN1L3MBTL1LMNAPKM
SCHEMBL7792874 0.78 LMNA (0.49) CTSDCA1CA2CA12CA9
SCHEMBL2770115 0.78 CA1 (0.52) CTSDCA1CA2CA12CA4
SCHEMBL2767752 0.78 KDM4E (0.48) CTSDCA1CA2CA12CA4
SCHEMBL4543403 0.77 CTSD (0.47) CTSDSTAT3TP53TSHRLMNA
SCHEMBL23275551 0.76 KDM4E (0.36) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL23275554 0.76 KDM4E (0.36) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL11357634 0.76 KDM4E (0.46) CTSDCA1CA2CA12CA4
SCHEMBL29435252 0.76 KDM4E (0.46) CTSDCA1CA2CA12CA4

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-5783518-A Dye diffusion thermal transfer printing ZENECA LIMITED (GB) 1998-07-21 US claimed