SCHEMBL9787795

SCHEMBL9787795

Nc1ccc2nc(CF)n(-c3ccccc3)c(=O)c2c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.72
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KLK7 P49862 1/20 0.46
HSD17B10 Q99714 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
THRB P10828 1/20 0.42

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
Afloqualone SCHEMBL400184 0.84 PDE4D (1.00) PDE4DMAPTALDH1A1KDM4EHPGD
Afloqualone SCHEMBL29540781 0.84 PDE4D (1.00) PDE4DMAPTALDH1A1KDM4EHPGD
SCHEMBL4959299 0.82 LMNA (0.63) PDE4DMAPTNPC1RAB9AALDH1A1
SCHEMBL10735755 0.79 PDE4D (0.83) PDE4DMAPTALDH1A1KDM4EHPGD
SCHEMBL10739746 0.78 PDE4D (0.77) PDE4DMAPTALDH1A1KDM4EHPGD
SCHEMBL10742868 0.77 PDE4D (0.76) PDE4DMAPTALDH1A1KDM4EHPGD
SCHEMBL10741182 0.77 PDE4D (0.76) PDE4DNPC1RAB9AALDH1A1KDM4E
SCHEMBL15818541 0.76 HTR7 (0.50) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL10737618 0.76 PDE4D (0.74) PDE4DMAPTNPC1ALDH1A1KDM4E
SCHEMBL10709171 0.76 PDE4D (0.74) PDE4DMAPTNPC1ALDH1A1KDM4E

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
JP-3058977-A None JP disclosed
JP-H0358977-A PRODUCTION OF QUINAZOLINONE DERIVATIVE NIPPON SYNTHETIC CHEM IND CO LTD:THE 1991-03-14 JP disclosed