SCHEMBL4659012

SCHEMBL4659012

Cc1cccnc1NC(=N)N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.69
MAPT P10636 3/20 0.69
RAB9A P51151 10/20 0.62
NPC1 O15118 8/20 0.62
KDM4E B2RXH2 4/20 0.62
HTT P42858 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
CACNA1B Q00975 1/20 0.47

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
SCHEMBL22583430 0.81 RAB9A (0.62) L3MBTL1MAPTRAB9ANPC1KDM4E
SCHEMBL2779146 0.81 MAPT (1.00) L3MBTL1MAPTRAB9ANPC1KDM4E
SCHEMBL7368441 0.81 L3MBTL1 (0.69) L3MBTL1MAPTRAB9ANPC1KDM4E
SCHEMBL2782667 0.79 RAB9A (0.59) L3MBTL1MAPTRAB9ANPC1KDM4E
SCHEMBL31680416 0.79 RAB9A (0.59) L3MBTL1MAPTRAB9ANPC1KDM4E
Iodide SCHEMBL2782687 0.77 RAB9A (0.57) L3MBTL1MAPTRAB9ANPC1KDM4E
SCHEMBL16571322 0.77 PLAU (0.49) L3MBTL1MAPTRAB9ANPC1KDM4E
SCHEMBL28703760 0.77 RAB9A (0.81) L3MBTL1MAPTRAB9ANPC1KDM4E
SCHEMBL29376441 0.77 RAB9A (0.81) L3MBTL1MAPTRAB9ANPC1KDM4E
SCHEMBL1558713 0.77 RAB9A (0.70) L3MBTL1MAPTRAB9ANPC1KDM4E

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-1917244-A2 HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022964-A2 HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO disclosed