SCHEMBL8727698

SCHEMBL8727698

CCN(c1ccc(N=Nc2cc(S(=O)(=O)F)ccc2C)cc1)C(C)OC(C)OC

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
CA9 Q16790 1/20 0.31
F2 P00734 2/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
IGLV6-57 P01721 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL7768464 0.89 PTGS2 (0.37) ALDH1A1MEN1NPC1CA12CA2
SCHEMBL7764264 0.81 MAPT (0.33) ALDH1A1LMNAMEN1NPC1RAB9A
SCHEMBL7769136 0.79 MAPT (0.40) ALDH1A1LMNAMEN1NPC1CA12
SCHEMBL7769138 0.79 MAPT (0.40) ALDH1A1LMNAMEN1NPC1CA12
SCHEMBL7768269 0.73 F2 (0.37) ALDH1A1MEN1NPC1CA12CA2
SCHEMBL7768058 0.71 NPC1 (0.44) ALDH1A1LMNAMEN1NPC1CA12
SCHEMBL7768059 0.71 NPC1 (0.44) ALDH1A1LMNAMEN1NPC1CA12
SCHEMBL7764275 0.71 GSK3B (0.38) ALDH1A1LMNAMEN1NPC1RAB9A
SCHEMBL7764292 0.71 CNR2 (0.32) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL7767878 0.69 MAPT (0.34) ALDH1A1LMNAMEN1NPC1CA12

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-5739299-A GOOD WET FASTNESS AND LIGHT FASTNESS PROPERTIES ZENECA LIMITED (GB) 1998-04-14 US disclosed