SCHEMBL8079534

SCHEMBL8079534

N=C(N)NC(=N)NCCCCOc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
KCNA3 P22001 1/20 0.48
PRSS1 P07477 4/20 0.47
F2 P00734 3/20 0.47
PLG P00747 2/20 0.47
RECQL P46063 1/20 0.47
PRSS2 P07478 1/20 0.47
C1S P09871 1/20 0.47
PRSS3 P35030 1/20 0.47
DRD3 P35462 2/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
HTR1B P28222 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
PRMT1 Q99873 3/20 0.42
ST14 Q9Y5Y6 2/20 0.42

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
Hydrochloric Acid SCHEMBL8187022 0.89 MTNR1A (0.51) L3MBTL1PRSS1F2PLGRECQL
Hydrochloric Acid SCHEMBL7115520 0.85 L3MBTL1 (0.47) L3MBTL1KCNA3PRSS1F2PLG
SCHEMBL8114563 0.81 EPHX2 (0.44) L3MBTL1
SCHEMBL3873648 0.80 PRSS1 (0.51) KCNA3PRSS1F2PLGRECQL
Guanoxyfen SCHEMBL666615 0.79 L3MBTL1 (0.56) L3MBTL1KCNA3PRSS1F2PLG
SCHEMBL7751585 0.78 ALDH1A1 (0.44) RECQLMTNR1AMTNR1BMEN1HPGD
SCHEMBL10310294 0.77 MTNR1A (0.59) L3MBTL1KCNA3PRSS1F2PLG
SCHEMBL4629192 0.77 NPC1 (0.66) L3MBTL1RECQLMTNR1AMTNR1BMEN1
SCHEMBL7838315 0.76 L3MBTL1 (0.51) L3MBTL1HPGDKMT2ACYP2D6
Hydrochloric Acid SCHEMBL9103546 0.76 RHOC (0.44) PRSS1MEN1KMT2ATMPRSS2

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-1034168-A1 SUBSTITUTED ARYLOXY ALKYL AMINO TRIAZINES Bayer Aktiengesellschaft (DE) 2000-09-13 EP disclosed
WO-1999021841-A1 SUBSTITUTED ARYLOXY ALKYL AMINO TRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 1999-05-06 WO disclosed