SCHEMBL4727616

SCHEMBL4727616

O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cccc(F)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.82
SMN1; SMN2 Q16637 8/20 0.82
RAB9A P51151 4/20 0.82
LMNA P02545 4/20 0.82
POLB P06746 4/20 0.82
GFER P55789 1/20 0.82
ALDH1A1 P00352 12/20 0.77
MAPT P10636 5/20 0.77
KMT2A Q03164 4/20 0.77
MAPK1 P28482 3/20 0.66
HPGD P15428 6/20 0.64
TP53 P04637 3/20 0.64
NPC1 O15118 3/20 0.64
PTK2B Q14289 1/20 0.60
PKM P14618 1/20 0.57
HSD17B10 Q99714 1/20 0.57
SMO Q99835 1/20 0.55
MEN1 O00255 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL1494832 0.90 KDM4E (0.83) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL4781504 0.85 KDM4E (0.77) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL4726403 0.84 KDM4E (0.76) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL25878632 0.83 KDM4E (0.74) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL25312016 0.83 ALDH1A1 (0.81) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL29484580 0.83 ALDH1A1 (0.81) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL26604703 0.81 RAB9A (0.65) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL1494756 0.81 RAB9A (0.79) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL28933829 0.81 ALDH1A1 (0.78) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL4727282 0.81 KDM4E (0.77) KDM4ESMN1; SMN2RAB9ALMNAPOLB

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
WO-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed