SCHEMBL8206086

SCHEMBL8206086

O=C(O)c1cccc(C=C(Cc2ncc[nH]2)c2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.39
NR4A2 P43354 1/20 0.39
UNG P13051 1/20 0.38
HTR2B P41595 1/20 0.38
NAMPT P43490 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ENPP2 Q13822 1/20 0.37
MAPT P10636 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAP2K4 P45985 1/20 0.36
P4HB P07237 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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 0.88 GAA (0.43) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL8205834 0.88 GAA (0.42) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL8209175 0.82 CA2 (0.41) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL8213603 0.81 HTR2B (0.40) GAASMN1; SMN2KDM4EALDH1A1HTR2B
SCHEMBL8205467 0.81 NAMPT (0.40) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL8198280 0.81 FNTA (0.46) ALDH1A1
SCHEMBL8206389 0.81 FNTA (0.46) ALDH1A1
SCHEMBL8205943 0.81 ERAP2 (0.40) GAASMN1; SMN2NAMPT
SCHEMBL8209367 0.81 GAA (0.39) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL8206480 0.81 NR4A2 (0.37) ALDH1A1NR4A2UNGMEN1KMT2A

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