SCHEMBL996353

SCHEMBL996353

O=C(Nc1cnccc1C(F)(F)F)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4D Q6B0I6 1/20 0.62
▸ KDM4C Q9H3R0 1/20 0.62
▸ MAPT P10636 1/20 0.57
▸ GSK3A P49840 1/20 0.57
▸ GSK3B P49841 1/20 0.57
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC8 Q9BY41 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ GAA P10253 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ JAK2 O60674 1/20 0.51
▸ TYK2 P29597 1/20 0.51
▸ NAMPT P43490 1/20 0.51
▸ RAB9A P51151 2/20 0.50
▸ ABCB1 P08183 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49
▸ POLB P06746 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ SCN5A Q14524 1/20 0.48
▸ SCN9A Q15858 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
SCHEMBL5694521 0.81 ALDH1A1 (0.75) MAPTHDAC1ALDH1A1RAB9ANPC1
SCHEMBL6170575 0.81 POLB (0.67) MAPTHDAC1HDAC8HDAC6GAA
SCHEMBL30008296 0.81 POLB (0.67) MAPTHDAC1HDAC8HDAC6GAA
SCHEMBL30599581 0.80 KDM4D (0.68) KDM4DKDM4CHDAC1HDAC8HDAC6
SCHEMBL896721 0.79 GAA (0.49) MAPTGSK3AGSK3BGAAALDH1A1
SCHEMBL23060423 0.78 GAA (0.57) MAPTGSK3AGSK3BGAAALDH1A1
SCHEMBL26624210 0.78 GAA (0.57) KDM4CMAPTGSK3AGSK3BGAA
SCHEMBL28561950 0.78 KDM4D (0.69) KDM4DKDM4CHDAC1JAK2TYK2
SCHEMBL2224452 0.77 RAB9A (0.67) KDM4DKDM4CHDAC1GAAJAK2
SCHEMBL12320459 0.77 KDM4D (0.68) KDM4DKDM4CMAPTGSK3AGSK3B

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-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 — — WO disclosed
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