SCHEMBL8205928

SCHEMBL8205928

COC(=O)c1cc(C=C(Cc2ncc[nH]2)c2ccc(F)cc2)ccc1CCc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.39
GAA P10253 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.36
HDAC1 Q13547 1/20 0.35
CCR6 P51684 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
CKS1B P61024 1/20 0.34
SKP2 Q13309 1/20 0.34

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
SCHEMBL8204858 0.89 GAA (0.36) NAMPTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL8212307 0.83 ALDH1A1 (0.47) NAMPTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL7861740 0.83 HDAC1 (0.40) NAMPTHDAC1FFAR4PLA2G2A
SCHEMBL8209847 0.82 FNTA (0.41) ALDH1A1
SCHEMBL8205732 0.81 FNTA (0.37) NAMPTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL8273539 0.81 GAA (0.43) NAMPTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL7241235 0.77 CYP19A1 (0.46) KDM4E
SCHEMBL8205834 0.74 GAA (0.42) NAMPTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL8213603 0.73 HTR2B (0.40) NAMPTGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL7241172 0.73 CCR6 (0.53) GAAALDH1A1HTTSMN1; SMN2KDM4E

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