SCHEMBL8441391

SCHEMBL8441391

O=C(N[n+]1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.52
HDAC3 O15379 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
IDO1 P14902 1/20 0.52
HDAC1 Q13547 1/20 0.52
CA9 Q16790 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
KCNK3 O14649 2/20 0.48
KCNK9 Q9NPC2 2/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL11557052 0.84 MEN1 (0.51) CA12NPC1RAB9AKMT2AMEN1
SCHEMBL11556634 0.84 PTGS2 (0.50) ALOX15KCNK3GAANPC1RAB9A
SCHEMBL11555086 0.84 MEN1 (0.51) KCNK3KCNK9NPC1RAB9AKMT2A
SCHEMBL11554687 0.84 ALDH1A1 (0.53) HDAC1HDAC6GAANPC1RAB9A
Hydrochloric Acid SCHEMBL11560023 0.83 MEN1 (0.50) CA12NPC1RAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL11556503 0.83 LMNA (0.49) ALOX15KCNK3GAANPC1RAB9A
Hydrochloric Acid SCHEMBL11558430 0.83 TPMT (0.45) ALOX15HDAC3CA12CA1IDO1
SCHEMBL22390046 0.81 NPC1 (0.51) KCNK3NPC1RAB9AKMT2AMEN1
SCHEMBL11553102 0.79 NPC1 (0.54) CA1GAANPC1RAB9AKMT2A
SCHEMBL6890283 0.76 HDAC8 (0.38) HDAC1HDAC8HDAC6KCNK9GAA

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
US-5936340-A Display screen comprising an adhesive layer U.S. PHILIPS CORPORATION (US) 1999-08-10 US disclosed