SCHEMBL16628144

SCHEMBL16628144

ICc1ccc(OCCC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 5/20 0.42
CXCR3 P49682 3/20 0.40
CHKA P35790 1/20 0.39
PPARG P37231 1/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
P2RX7 Q99572 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL2748297 0.82 MEN1 (0.51) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL21900500 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL16621363 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL16628134 0.80 KCNA3 (0.47) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL2747983 0.79 SLC6A4 (0.46) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL2747984 0.79 SLC6A4 (0.46) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL4071443 0.77 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL2387597 0.76 PKM (0.53) ALDH1A1MEN1KMT2AL3MBTL1EPHX2
SCHEMBL2748689 0.75 MEN1 (0.50) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL7732958 0.75 L3MBTL1 (0.57) ALDH1A1MEN1KMT2ALMNAL3MBTL1

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
WO-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 WO disclosed