SCHEMBL21391029

SCHEMBL21391029

COCc1c(Cl)ccc2nc(N(C)C(=O)CC(C)(C)C)n(C3CCC3)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
MAPT P10636 1/20 0.31
PIK3CA P42336 2/20 0.31
MTOR P42345 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
VDR P11473 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
OPRM1 P35372 2/20 0.30
OPRD1 P41143 2/20 0.30
OPRK1 P41145 2/20 0.30
OGFRL1 Q5TC84 2/20 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
SCHEMBL21354667 0.82 GAA (0.35) PLA2G1BTSHRHSD17B10ATG4BMAPT
SCHEMBL30315701 0.82 GAA (0.35) PLA2G1BTSHRHSD17B10ATG4BMAPT
SCHEMBL21390682 0.80 JAK1 (0.32) PLA2G1BTSHRHSD17B10ATG4B
SCHEMBL21390969 0.75 TNF (0.38) MAPTOPRM1OPRD1OPRK1OGFRL1
SCHEMBL21354732 0.70 EGFR (0.34) PLA2G1BTSHRHSD17B10ATG4BMAPT
SCHEMBL21391028 0.69 MAPT (0.30) MAPT
SCHEMBL23678917 0.65 CYP11B2 (0.33)
SCHEMBL21354557 0.64 KDM4E (0.40) OPRM1OPRD1OPRK1OGFRL1
SCHEMBL29701144 0.64 KDM4E (0.40) OPRM1OPRD1OPRK1OGFRL1
SCHEMBL21354658 0.62 PLA2G1B (0.35) PLA2G1BTSHRHSD17B10ATG4BMAPT

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed