SCHEMBL8212291

SCHEMBL8212291

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.40
NR4A2 P43354 2/20 0.40
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CXCR2 P25025 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
MEP1B Q16820 1/20 0.38
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTR2B P41595 1/20 0.37
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FOLH1 Q04609 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL8199051 0.88 MRGPRX4 (0.43) MRGPRX4GAASMN1; SMN2HTTKDM4E
SCHEMBL8199506 0.81 FNTA (0.50)
SCHEMBL8207294 0.81 FNTA (0.50)
SCHEMBL8206086 0.79 GAA (0.43) NR4A2GAASMN1; SMN2TRPM8HTT
SCHEMBL9853966 0.74 TAAR1 (0.61) NR4A2GAASMN1; SMN2HTTKDM4E
SCHEMBL8205834 0.72 GAA (0.42) NR4A2GAASMN1; SMN2HTTKDM4E
SCHEMBL5093427 0.67 RAB9A (0.53) GAASMN1; SMN2HTTKDM4EHTR2B
SCHEMBL8273539 0.67 GAA (0.43) MRGPRX4GAASMN1; SMN2HTTKDM4E
SCHEMBL28585559 0.65 TAAR1 (0.61) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL28085108 0.65 KDM4E (0.40) GAASMN1; SMN2KDM4EALDH1A1KDM5A

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