SCHEMBL8312175

SCHEMBL8312175

C/C(=N/O)c1c(C)nc2ccc(Br)cn12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 1/20 0.49
GAA P10253 3/20 0.48
ALDH1A1 P00352 6/20 0.46
POLB P06746 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
G6PD P11413 1/20 0.43
TSHR P16473 1/20 0.38
MAPK10 P53779 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
SCHEMBL29690171 0.81 EPHB3 (0.51) EPHB3GAAALDH1A1POLBKDM4E
SCHEMBL4256814 0.81 KMT2A (0.58) EPHB3GAAALDH1A1POLBKDM4E
SCHEMBL954716 0.78 EPHB3 (0.57) EPHB3GAAALDH1A1POLBKDM4E
SCHEMBL954299 0.77 EPHB3 (0.56) EPHB3GAAALDH1A1POLBKDM4E
SCHEMBL953778 0.77 EPHB3 (0.50) EPHB3GAAALDH1A1POLBKDM4E
SCHEMBL12850522 0.77 EPHB3 (0.60) EPHB3GAAALDH1A1POLBKDM4E
SCHEMBL8312072 0.75 KMT2A (0.67) GAAALDH1A1KDM4ELMNAKMT2A
SCHEMBL975608 0.73 GAA (0.58) EPHB3GAAALDH1A1POLBKDM4E
SCHEMBL18766608 0.72 EPHB3 (0.58) EPHB3GAAALDH1A1POLBKDM4E
SCHEMBL6223693 0.72 MAPK1 (0.63) EPHB3ALDH1A1POLBKDM4EMAPT

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
EP-0649425-B1 PYRIDINO-, PYRROLIDINO- AND AZEPINO-SUBSTITUTED OXIMES USEFUL AS ANTI-ATHEROSCLEROSIS AND ANTI-HYPERCHOLESTEROLEMIC AGENTS UPJOHN CO (US) 1999-03-10 EP claimed