SCHEMBL1693702

SCHEMBL1693702

CCN(CC)CC.CCOC(=O)c1cc(-c2ccc(F)cc2)sc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.71
RAB9A P51151 7/20 0.71
ALDH1A1 P00352 7/20 0.71
MEN1 O00255 7/20 0.71
KMT2A Q03164 7/20 0.71
NPC1 O15118 6/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
GAA P10253 4/20 0.71
HSD17B10 Q99714 4/20 0.71
LMNA P02545 3/20 0.71
ALOX15 P16050 2/20 0.71
HPGD P15428 8/20 0.67
KDM4E B2RXH2 7/20 0.61
GRM6 O15303 1/20 0.52
MAPK1 P28482 2/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50

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
SCHEMBL656187 0.94 MAPT (0.80) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL8207063 0.83 ALDH1A1 (0.84) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL654015 0.81 ALDH1A1 (1.00) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL5344833 0.80 MAPT (0.78) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL16689457 0.80 MAPT (0.78) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL5432647 0.79 MAPT (0.74) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL610929 0.79 ALDH1A1 (0.76) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL1428039 0.73 IKBKB (0.71) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL7054417 0.71 TUBB4A (0.58) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL8143273 0.71 GAA (0.60) MAPTRAB9AALDH1A1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575969-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-04-10 EP disclosed
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP disclosed
WO-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO disclosed
WO-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 WO disclosed