SCHEMBL4037764

SCHEMBL4037764

Cc1cccc(-c2ccc(-c3ccccn3)[nH]2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.50
CCR8 P51685 3/20 0.50
KDM4E B2RXH2 6/20 0.47
TDP1 Q9NUW8 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 2/20 0.47
ALPL P05186 2/20 0.47
CCR5 P51681 2/20 0.47
HSP90AA1 P07900 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CBFB Q13951 3/20 0.45
GRM5 P41594 2/20 0.45
PDE10A Q9Y233 1/20 0.44
NPC1 O15118 3/20 0.43

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
SCHEMBL3147917 0.89 KDM4E (0.49) CCR1CCR8KDM4ETDP1SMN1; SMN2
SCHEMBL3751172 0.87 KDM4E (0.61) CCR1CCR8KDM4ETDP1SMN1; SMN2
SCHEMBL3745096 0.85 KDM4E (0.65) CCR1CCR8KDM4ETDP1SMN1; SMN2
SCHEMBL3745071 0.85 CCR1 (0.62) CCR1CCR8RAB9AKMT2AMEN1
SCHEMBL1456972 0.85 CCR1 (0.62) CCR1CCR8RAB9AKMT2AMEN1
SCHEMBL16715991 0.83 CCR1 (0.67) CCR1CCR8KDM4ETDP1SMN1; SMN2
SCHEMBL1456454 0.83 KDM4E (0.62) CCR1CCR8KDM4ETDP1SMN1; SMN2
SCHEMBL29624537 0.83 KDM4E (0.62) CCR1CCR8KDM4ETDP1SMN1; SMN2
SCHEMBL254903 0.81 KDM4E (0.71) CCR1CCR8KDM4ETDP1SMN1; SMN2
SCHEMBL29595637 0.81 KDM4E (0.71) CCR1CCR8KDM4ETDP1SMN1; SMN2

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-2069345-A2 PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES Centre National de la Recherche Scientifique (CNRS) (FR) 2009-06-17 EP disclosed
WO-2008012440-A2 PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-31 WO disclosed