SCHEMBL8205834

SCHEMBL8205834

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HTR2B P41595 1/20 0.41
HTT P42858 4/20 0.39
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
NAMPT P43490 1/20 0.39
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 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
SCHEMBL8206086 0.88 GAA (0.43) GAASMN1; SMN2ALDH1A1KDM4EHTR2B
SCHEMBL8212307 0.86 ALDH1A1 (0.47) GAASMN1; SMN2ALDH1A1KDM4EHTR2B
SCHEMBL8213603 0.84 HTR2B (0.40) GAASMN1; SMN2ALDH1A1KDM4EHTR2B
SCHEMBL4642176 0.83 NAMPT (0.37) KDM4EHTR2BNAMPT
SCHEMBL8204858 0.81 GAA (0.36) GAASMN1; SMN2ALDH1A1KDM4EHTR2B
SCHEMBL8205624 0.79 CA2 (0.46) GAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8273539 0.77 GAA (0.43) GAASMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL5093427 0.76 RAB9A (0.53) GAASMN1; SMN2ALDH1A1KDM4EHTR2B
SCHEMBL8206519 0.75 NAMPT (0.38) NAMPT
SCHEMBL8205928 0.74 NAMPT (0.39) GAASMN1; SMN2ALDH1A1KDM4EHTT

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