SCHEMBL5745573

SCHEMBL5745573

Nc1cccc(-c2cccc(-c3cccc(N)c3Oc3ccccc3)c2)c1Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 1/20 0.45
MAOB P27338 1/20 0.44
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOA P21397 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
BRD4 O60885 1/20 0.38
LTA4H P09960 1/20 0.38
TSHR P16473 1/20 0.38
GSTP1 P09211 1/20 0.38

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
SCHEMBL3786852 0.93 ALDH1A1 (0.54) ALDH1A1HSD17B10MAOBNCOA1NCOA3
SCHEMBL30822034 0.93 ALDH1A1 (0.54) ALDH1A1HSD17B10MAOBNCOA1NCOA3
SCHEMBL3785402 0.92 MAOB (0.53) ALDH1A1HSD17B10MAOBNCOA1NCOA3
SCHEMBL25135314 0.85 MAOB (0.58) ALDH1A1HSD17B10MAOBNCOA1NCOA3
SCHEMBL3806719 0.84 NCOA1 (0.53) ALDH1A1HSD17B10MAOBNCOA1NCOA3
SCHEMBL25135313 0.84 NCOA1 (0.62) ALDH1A1HSD17B10MAOBNCOA1NCOA3
SCHEMBL3786946 0.83 ALDH1A1 (0.52) ALDH1A1HSD17B10MAOBNCOA1NCOA3
SCHEMBL6681919 0.81 ALDH1A1 (0.46) ALDH1A1HSD17B10MAOBNCOA1NCOA3
SCHEMBL7776603 0.80 LTA4H (0.52) ALDH1A1MAOBMEN1KMT2AMAPT
SCHEMBL2087211 0.80 ALDH1A1 (0.57) ALDH1A1HSD17B10MAOBNCOA1NCOA3

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
EP-1189973-B1 COMPOSITION OF AND METHOD FOR MAKING HIGH PERFORMANCE RESINS FOR INFUSION AND TRANSFER MOLDING PROCESSES NASA (US) 2006-09-20 EP disclosed