SCHEMBL7541416

SCHEMBL7541416

BrCCCCn1nnc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.71
RAB9A P51151 4/20 0.58
MAPT P10636 2/20 0.58
NPC1 O15118 2/20 0.58
GLA P06280 1/20 0.57
TSHR P16473 1/20 0.57
EGLN3 Q9H6Z9 2/20 0.55
P2RX7 Q99572 1/20 0.53
GRM2 Q14416 1/20 0.53
MGAM O43451 2/20 0.50
AMY1A P0DUB6 2/20 0.50
GAA P10253 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
KDM4E B2RXH2 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
SCHEMBL18636772 0.98 SLC9A1 (0.71) SLC9A1RAB9AMAPTNPC1GLA
SCHEMBL20244273 0.98 SLC9A1 (0.71) SLC9A1RAB9AMAPTNPC1GLA
SCHEMBL12676393 0.98 SLC9A1 (0.71) SLC9A1RAB9AMAPTNPC1GLA
SCHEMBL5332501 0.95 SLC9A1 (0.70) SLC9A1RAB9AMAPTNPC1GLA
SCHEMBL18636614 0.87 SLC9A1 (0.68) SLC9A1RAB9AMAPTNPC1GLA
SCHEMBL14796568 0.87 SLC9A1 (0.79) SLC9A1RAB9AMAPTNPC1GLA
SCHEMBL462848 0.83 SLC9A1 (1.00) SLC9A1RAB9AMAPTNPC1GLA
SCHEMBL15076276 0.83 SLC9A1 (0.71) SLC9A1RAB9AMAPTNPC1GLA
SCHEMBL17103011 0.83 SLC9A1 (0.90) SLC9A1RAB9AMAPTNPC1GLA
SCHEMBL7672509 0.83 SLC9A1 (0.71) SLC9A1RAB9AMAPTNPC1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3141582-A1 SYNTHESIS AND USE OF POLYALKYLAMINES Incella GmbH (DE) 2017-03-15 EP disclosed
EP-1037635-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2002-11-13 EP disclosed
US-6476028-B1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2002-11-05 US disclosed
EP-1037635-A1 COMPOUNDS AND METHODS Smithkline Beecham (US) 2000-09-27 EP disclosed
WO-1999017773-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-15 WO disclosed