SCHEMBL16627668

SCHEMBL16627668

CCc1ccc(NC(=O)c2cc3ccccc3n(C)c2=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.77
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
TP53 P04637 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KLF5 Q13887 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 2/20 0.50
POLB P06746 2/20 0.50
AR P10275 1/20 0.50
AKR1C3 P42330 1/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
GAA P10253 1/20 0.48

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
SCHEMBL16627820 0.87 AHR (1.00) AHRMAOAMAOBTP53SMN1; SMN2
SCHEMBL1397253 0.87 AHR (0.85) AHRMAOAMAOBRAB9ANPC1
SCHEMBL30237030 0.87 AHR (0.85) AHRMAOAMAOBRAB9ANPC1
SCHEMBL16627821 0.86 AHR (0.83) AHRMAOAMAOBTP53RAB9A
SCHEMBL16627752 0.85 AHR (0.81) AHRMAOAMAOBSMN1; SMN2RAB9A
SCHEMBL16627756 0.85 AHR (1.00) AHRMAOAMAOBTP53RAB9A
SCHEMBL25204610 0.85 AHR (0.77) AHRTP53SMN1; SMN2RAB9ANPC1
SCHEMBL30395640 0.85 AHR (0.77) AHRTP53SMN1; SMN2RAB9ANPC1
SCHEMBL30237205 0.83 AHR (1.00) AHRMAOBTP53SMN1; SMN2RAB9A
SCHEMBL25224642 0.83 AHR (1.00) AHRMAOBTP53SMN1; SMN2RAB9A

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