SCHEMBL7873172

SCHEMBL7873172

CC(=N)Nc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
GAA P10253 3/20 0.54
IDO1 P14902 1/20 0.53
RAB9A P51151 3/20 0.51
TSHR P16473 2/20 0.51
NPC1 O15118 2/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2D6 P10635 1/20 0.49
MAPK10 P53779 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAPT P10636 4/20 0.49
HTT P42858 1/20 0.49
MTOR P42345 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL7865767 0.85 POLB (0.47) MEN1KMT2ARAB9AALDH1A1POLB
SCHEMBL173527 0.83 MEN1 (0.60) MEN1KMT2AGAAIDO1RAB9A
SCHEMBL30753398 0.83 MEN1 (0.60) MEN1KMT2AGAAIDO1RAB9A
SCHEMBL19568219 0.81 GAA (0.50) MEN1KMT2AGAAIDO1RAB9A
SCHEMBL13246382 0.80 GAA (0.63) MEN1KMT2AGAAIDO1RAB9A
SCHEMBL687148 0.80 GAA (0.68) MEN1KMT2AGAAIDO1RAB9A
SCHEMBL3443268 0.80 IDO1 (0.58) MEN1KMT2AGAAIDO1RAB9A
SCHEMBL29493316 0.80 GAA (0.68) MEN1KMT2AGAAIDO1RAB9A
SCHEMBL25649096 0.79 RAB9A (0.47) MEN1KMT2AGAAIDO1RAB9A
SCHEMBL28014773 0.78 MEN1 (0.55) MEN1KMT2AGAAIDO1RAB9A

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
US-RE37438-E1 Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. 2001-11-06 US disclosed
US-5866612-A Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. (US) 1999-02-02 US disclosed