SCHEMBL14699214

SCHEMBL14699214

NC(=O)c1[c]cn(Cc2cccc(C(=O)N3CCC(O)CC3)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PARP1 P09874 3/20 0.45
▸ KDM1A O60341 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LOXL2 Q9Y4K0 2/20 0.40
▸ GPR52 Q9Y2T5 1/20 0.40
▸ VNN1 O95497 1/20 0.39
▸ ADRB2 P07550 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
SCHEMBL14699416 0.82 HTT (0.43) L3MBTL1
SCHEMBL2821281 0.79 HTT (0.40) MEN1KMT2ATSHRL3MBTL1GPR52
SCHEMBL14699215 0.76 KLKB1 (0.52) MEN1KMT2APARP1KDM1ANPC1
SCHEMBL13920474 0.75 MEN1 (0.54) MEN1KMT2APARP1KDM1ANPC1
SCHEMBL15520701 0.74 L3MBTL1 (0.50) MEN1KMT2APARP1NPC1RAB9A
SCHEMBL14699254 0.74 HDAC1 (0.44) PARP1SMN1; SMN2
SCHEMBL1718132 0.73 PARP1 (0.48) KMT2APARP1L3MBTL1
SCHEMBL14698464 0.72 MEN1 (0.54) MEN1KMT2APARP1KDM1ANPC1
SCHEMBL14699294 0.72 FFAR1 (0.42) —
SCHEMBL14699089 0.71 ADRA1D (0.47) KMT2AL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742040-B1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-04-06 — — EP disclosed
EP-2742040-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-06-18 — — EP disclosed
WO-2013024011-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 — — WO disclosed
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