SCHEMBL2865126

SCHEMBL2865126

O=C(Nc1ccccn1)c1ccc(N2CCCC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.60
NPC1 O15118 5/20 0.60
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CHRNA7 P36544 1/20 0.53
CHRNA10 Q9GZZ6 1/20 0.53
CHRNA9 Q9UGM1 1/20 0.53
CNR2 P34972 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KCNQ3 O43525 1/20 0.51
KCNQ2 O43526 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HPGD P15428 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
FASN P49327 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
SCHEMBL3783683 0.83 GRIN2D (0.55) RAB9ANPC1MEN1KMT2ACHRNA7
SCHEMBL27696834 0.82 MCHR1 (0.60) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3789573 0.81 KMT2A (0.61) RAB9ANPC1KMT2ACHRNA7CHRNA10
SCHEMBL790329 0.79 LMNA (0.59) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8161162 0.79 HDAC1 (0.70)
SCHEMBL5309112 0.79 SCD (0.53) RAB9ANPC1KDM4EGAAFASN
SCHEMBL789964 0.78 SMN1; SMN2 (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL12974898 0.77 CNR2 (0.49) RAB9ANPC1CNR2SMN1; SMN2ALDH1A1
SCHEMBL14651869 0.77 RAB9A (0.63) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3598305 0.76 UBE2T (0.60) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1

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-2181112-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS Merck Serono S.A. (CH) 2010-05-05 EP disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 WO disclosed