SCHEMBL18636614

SCHEMBL18636614

BrCCn1nnc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 9/20 0.68
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
MAPT P10636 2/20 0.64
GLA P06280 1/20 0.62
TSHR P16473 1/20 0.62
EGLN3 Q9H6Z9 2/20 0.60
GRM2 Q14416 2/20 0.58
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KEAP1 Q14145 1/20 0.52

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
SCHEMBL5332501 0.89 SLC9A1 (0.70) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL7541416 0.87 SLC9A1 (0.71) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL20244273 0.86 SLC9A1 (0.71) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL12676393 0.86 SLC9A1 (0.71) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL18636772 0.86 SLC9A1 (0.71) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL14796568 0.84 SLC9A1 (0.79) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL3259919 0.84 SLC9A1 (0.66) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL283896 0.81 SLC9A1 (1.00) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL2936169 0.81 SLC9A1 (0.68) SLC9A1NPC1RAB9AMAPTGLA
SCHEMBL5637028 0.81 SLC9A1 (0.80) SLC9A1NPC1RAB9AMAPTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3141582-B1 SYNTHESIS AND USE OF POLYALKYLAMINES KARLSRUHER INST TECHNOLOGIE (DE) 2018-06-13 EP disclosed
EP-3141582-A1 SYNTHESIS AND USE OF POLYALKYLAMINES Incella GmbH (DE) 2017-03-15 EP disclosed