SCHEMBL7583585

SCHEMBL7583585

CCN(CC)C(O)Cc1cccc2ccc(-c3ccccc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.43
RAB9A P51151 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ACACA Q13085 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL8003719 0.81 METAP2 (0.45) PARP1RAB9AKMT2AMEN1MTNR1A
SCHEMBL7590773 0.81 KDM4E (0.41) RAB9AKMT2AMEN1ALDH1A1NPC1
SCHEMBL8007841 0.80 PARP1 (0.46) PARP1MTNR1AMTNR1B
SCHEMBL7583319 0.79 PDE10A (0.43) RAB9AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL7118786 0.74 PARP1 (0.43) PARP1RAB9AKMT2AMEN1TRPV3
SCHEMBL28021281 0.74 PARP1 (0.54) PARP1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL7122691 0.74 PARP1 (0.40) PARP1RAB9AKMT2AMEN1TRPV3
SCHEMBL7774860 0.74 KMT2A (0.38) KMT2AMEN1MTNR1AMTNR1BKDM4E
SCHEMBL7588354 0.73 MTNR1A (0.39) MTNR1AMTNR1BDRD2
SCHEMBL8406965 0.70 EED (0.37) RAB9AKMT2AMEN1NPC1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240146-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-09-18 EP claimed
WO-2001038310-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2001-05-31 WO claimed
EP-1240146-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-09-18 EP disclosed
WO-2001038310-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2001-05-31 WO disclosed