SCHEMBL9702768

SCHEMBL9702768

Oc1ccc(Nc2cccc3cccnc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.65
ALDH1A1 P00352 4/20 0.55
GAA P10253 4/20 0.55
MAPT P10636 8/20 0.53
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
MMP2 P08253 1/20 0.50
CHRM1 P11229 1/20 0.50
TSHR P16473 1/20 0.50
COMT P21964 1/20 0.50
ADRA1A P35348 1/20 0.50
METAP2 P50579 1/20 0.50
METAP1 P53582 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
TDP1 Q9NUW8 5/20 0.49

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
SCHEMBL341142 0.84 SLC40A1 (0.62) HDAC6ALDH1A1MAPTMEN1KMT2A
SCHEMBL22926774 0.83 HDAC6 (0.61) HDAC6ALDH1A1GAAMAPTMEN1
SCHEMBL24522570 0.83 MAPT (0.67) HDAC6ALDH1A1MAPTMEN1KMT2A
SCHEMBL3352386 0.82 HDAC6 (0.59) HDAC6ALDH1A1GAAMAPTMEN1
SCHEMBL1144237 0.82 HDAC6 (0.59) HDAC6ALDH1A1GAAMAPTMEN1
SCHEMBL3292874 0.82 HDAC6 (0.59) HDAC6ALDH1A1GAAMAPTMEN1
SCHEMBL379216 0.82 GLO1 (0.59) HDAC6ALDH1A1MAPTMEN1KMT2A
SCHEMBL19631407 0.81 HDAC6 (0.75) HDAC6ALDH1A1GAAMAPTMEN1
SCHEMBL1008580 0.80 GLO1 (0.61) HDAC6MAPTMEN1KMT2AL3MBTL1
SCHEMBL28232978 0.80 SLC40A1 (0.61) HDAC6MAPTRELAGLO1SLC40A1

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-0221677-B1 P-AMINOPHENOLS, DERIVATIVES THEREOF AND USE FOR MANUFACTURE OF A MEDICAMENT E.R. Squibb & Sons, Inc. (US) 1992-09-09 EP claimed