SCHEMBL3984997

SCHEMBL3984997

O=C(NC1CCCC1)c1ccc2nc[nH]c2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.79
LMNA P02545 1/20 0.79
SMYD3 Q9H7B4 2/20 0.71
EPHX1 P07099 1/20 0.64
HDAC6 Q9UBN7 1/20 0.63
HTT P42858 3/20 0.55
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 3/20 0.54
RAB9A P51151 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
MLLT1 Q03111 1/20 0.51
CASP6 P55212 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
MEN1 O00255 1/20 0.51
NAMPT P43490 1/20 0.51

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
SCHEMBL30265317 0.91 NPC1 (0.81) NPC1LMNASMYD3EPHX1HDAC6
SCHEMBL3984993 0.89 NPC1 (0.64) NPC1LMNASMYD3EPHX1HDAC6
SCHEMBL21489973 0.88 NPC1 (0.78) NPC1LMNASMYD3EPHX1HDAC6
Hydrochloric Acid SCHEMBL2356279 0.88 NPC1 (0.74) NPC1LMNASMYD3EPHX1HDAC6
Hydrochloric Acid SCHEMBL30265370 0.88 NPC1 (0.74) NPC1LMNASMYD3EPHX1HDAC6
SCHEMBL19710135 0.88 NPC1 (0.78) NPC1LMNASMYD3EPHX1HDAC6
Hydrochloric Acid SCHEMBL30265427 0.87 NPC1 (0.65) NPC1LMNASMYD3EPHX1HDAC6
SCHEMBL1052812 0.86 NPC1 (0.74) NPC1LMNASMYD3EPHX1HDAC6
SCHEMBL10268218 0.86 NPC1 (0.71) NPC1LMNASMYD3EPHX1HDAC6
SCHEMBL112036 0.85 NPC1 (0.69) NPC1LMNASMYD3EPHX1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061786-A2 INDAZOLE DERIVATIVES AS MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE Biogen Idec MA Inc. (US) 2009-05-27 EP disclosed
WO-2008030584-A2 INDAZOLE DERIVATIVES AS MODULATORS OF INTERLEUKIN- 1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2008-03-13 WO disclosed