SCHEMBL4784836

SCHEMBL4784836

O=C(O)c1cc(F)c(F)cc1Cl.O=C(c1cc(F)c(F)cc1Cl)N1CCCC1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.85
TSHR P16473 3/20 0.68
MAPT P10636 1/20 0.68
SMN1; SMN2 Q16637 4/20 0.64
POLB P06746 2/20 0.64
USP2 O75604 1/20 0.53
HTT P42858 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HSP90AA1 P07900 2/20 0.50
LMNA P02545 1/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48

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
SCHEMBL4194748 0.94 HPGD (0.97) HPGDTSHRMAPTSMN1; SMN2POLB
SCHEMBL2105339 0.81 HPGD (0.74) HPGDTSHRMAPTSMN1; SMN2POLB
SCHEMBL979056 0.81 KEAP1 (0.55) HPGDTSHRMAPTSMN1; SMN2POLB
SCHEMBL32668944 0.81 KEAP1 (0.55) HPGDTSHRMAPTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL9488278 0.79 KEAP1 (0.53) HPGDTSHRMAPTSMN1; SMN2POLB
SCHEMBL27617055 0.76 KEAP1 (0.50) HPGDTSHRMAPTSMN1; SMN2POLB
SCHEMBL6554857 0.73 HPGD (0.71) HPGDTSHRPOLBUSP2HTT
SCHEMBL5110700 0.73 POLB (0.66) HPGDTSHRPOLBUSP2HTT
Glyoxylate SCHEMBL7813107 0.73 KEAP1 (0.47) HPGDTSHRMAPTSMN1; SMN2POLB
SCHEMBL12674484 0.73 MEN1 (0.74) HPGDTSHRMAPTSMN1; SMN2MEN1

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-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed