SCHEMBL19441266

SCHEMBL19441266

CC(O)Nc1[nH]nc(-c2cccc(F)c2)c1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ ALOX15 P16050 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ NFKB2 Q00653 2/20 0.40
▸ RELA Q04206 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL15655811 0.80 ADORA3 (0.47) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL22815484 0.69 IDO1 (0.45) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL12826807 0.64 CA12 (0.56) SMN1; SMN2NPSR1MEN1NPC1RAB9A
SCHEMBL13715618 0.63 PIM1 (0.49) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL22327927 0.63 MAPT (0.47) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL8889925 0.63 MAP2K4 (0.45) SMN1; SMN2NPC1RAB9AMAPK1HTR7
SCHEMBL2860957 0.62 AURKA (0.66) NPC1RAB9ALMNATP53MAPK1
SCHEMBL10875241 0.62 HSP90AA1 (0.54) LMNAHTR7HSP90AA1GSK3AGSK3B
SCHEMBL8888803 0.62 MAPK13 (0.48) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL15661915 0.62 MAPK13 (0.48) MAPTALOX15SMN1; SMN2NFKB1NFKB2

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-9783545-B2 Pyrazolopyridazines and methods for treating retinal-degenerative diseases and hearing loss associated with usher syndrome USHER III INITIATIVE, INC. (US) 2017-10-10 — — US disclosed
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