SCHEMBL8212307

SCHEMBL8212307

COC(=O)c1ccc(C=C(Cc2ncc[nH]2)c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 3/20 0.42
GAA P10253 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39
NAMPT P43490 2/20 0.39
HTR2B P41595 1/20 0.39
GLO1 Q04760 1/20 0.39
MAPK13 O15264 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
SCHEMBL8273539 0.89 GAA (0.43) ALDH1A1KDM4ESMN1; SMN2HTTGAA
SCHEMBL8205834 0.86 GAA (0.42) ALDH1A1KDM4ESMN1; SMN2HTTGAA
SCHEMBL8205928 0.83 NAMPT (0.39) ALDH1A1KDM4ESMN1; SMN2HTTGAA
SCHEMBL4642176 0.80 NAMPT (0.37) KDM4ENAMPTHTR2BMAPK14
SCHEMBL8205624 0.78 CA2 (0.46) ALDH1A1SMN1; SMN2GAAKMT2AMAPK1
SCHEMBL8206086 0.77 GAA (0.43) ALDH1A1KDM4ESMN1; SMN2HTTGAA
SCHEMBL8050114 0.77 KMT2A (0.51) ALDH1A1KDM4ESMN1; SMN2HTTNPC1
SCHEMBL8199051 0.74 MRGPRX4 (0.43) ALDH1A1KDM4ESMN1; SMN2HTTGAA
SCHEMBL8204858 0.74 GAA (0.36) ALDH1A1KDM4ESMN1; SMN2HTTGAA
SCHEMBL8271519 0.73 SLC6A4 (0.37) ALDH1A1KDM4ESMN1; SMN2HTTGAA

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-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO disclosed