SCHEMBL17632555

SCHEMBL17632555

N#CN(C(=O)[C@H]1CCNC1)c1nc2c(Br)cccc2s1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNA1 P02708 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ TP53 P04637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ SLC2A1 P11166 1/20 0.30
▸ CXCR6 O00574 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
SCHEMBL17631727 0.88 MAPT (0.44) MAPTTP53ALDH1A1NPC1RAB9A
SCHEMBL17632621 0.83 ALDH1A1 (0.47) CASP3SENP8SENP7SENP6MAPT
SCHEMBL17632611 0.80 RAB9A (0.37) MAPTNPC1RAB9ALMNA
SCHEMBL17632490 0.79 MAPT (0.43) MAPTTP53ALDH1A1NPC1RAB9A
SCHEMBL17632007 0.76 LIPG (0.41) LIPGALDH1A1LMNA
SCHEMBL17631984 0.76 DYRK1A (0.33) CASP3SENP8SENP7SENP6MAPT
SCHEMBL17632164 0.76 IKBKB (0.33) MAPTALDH1A1NPC1RAB9A
SCHEMBL17632035 0.75 ABL1 (0.45) —
SCHEMBL17632020 0.74 MAPT (0.46) MAPTTP53ALDH1A1NPC1RAB9A
SCHEMBL17632229 0.74 CYP2D6 (0.42) —

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-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP claimed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO claimed
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP disclosed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO disclosed
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