SCHEMBL16627705

SCHEMBL16627705

COc1cccc2c1CC(CCn1c(=O)c(C(=O)NCCc3ccccc3)cc3ccccc31)C2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CNR2 P34972 8/20 0.44
CNR1 P21554 7/20 0.44
TAAR1 Q96RJ0 1/20 0.43
MAPT P10636 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL16627768 0.76 CNR1 (0.42) CNR2CNR1MAPTNPC1RAB9A
SCHEMBL16627827 0.72 AHR (0.49) MEN1KMT2ACNR2CNR1MAPT
SCHEMBL16627770 0.72 KMT2A (0.57) MEN1KMT2AMAPTSMN1; SMN2ADORA2A
SCHEMBL16627829 0.71 KMT2A (0.49) MEN1KMT2ACNR2CNR1MAPT
SCHEMBL16627581 0.68 CNR1 (0.54) MEN1KMT2ACNR2CNR1ALDH1A1
SCHEMBL16627834 0.68 KMT2A (0.53) MEN1KMT2ACNR2CNR1MAPT
SCHEMBL16627830 0.68 CNR1 (0.47) MEN1KMT2ACNR2CNR1MAPT
SCHEMBL20547147 0.66 ALDH1A1 (0.50) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11050202 0.66 CA1 (0.60) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5156747 0.66 TAAR1 (0.74) MEN1KMT2ATAAR1MAPTNPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed