SCHEMBL1661618

SCHEMBL1661618

O=C(O)CCNc1ccc(-c2nc3ccc(C4(c5ccccc5)C=C4)nc3s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.58
S1PR3 Q99500 6/20 0.52
MGLL Q99685 2/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
STAT1 P42224 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1661661 0.87 S1PR1 (0.46) S1PR1S1PR3MGLLTP53
SCHEMBL1661614 0.87 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL1662062 0.86 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL1661831 0.81 S1PR1 (0.80) S1PR1S1PR3
SCHEMBL1660276 0.80 ADORA3 (0.44) S1PR1S1PR3
SCHEMBL1661564 0.79 S1PR1 (0.50) S1PR1S1PR3
Hydrochloric Acid SCHEMBL1661908 0.77 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL1662093 0.77 S1PR1 (0.43) S1PR1S1PR3
SCHEMBL1661678 0.77 S1PR1 (0.44) S1PR1S1PR3
Hydrochloric Acid SCHEMBL1661605 0.77 S1PR1 (0.70) S1PR1S1PR3

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
JP-2011524906-A 2011-09-08 JP claimed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP claimed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO claimed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO disclosed