SCHEMBL7470109

SCHEMBL7470109

NC(=O)C(Br)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
KCNN4 O15554 4/20 0.41
CNR2 P34972 2/20 0.40
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
LMNA P02545 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
ALOX15 P16050 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
SCHEMBL30888308 0.82 CES2 (0.47) GAACES2CES1KCNN4CNR2
SCHEMBL8127998 0.82 CES2 (0.47) GAACES2CES1KCNN4CNR2
SCHEMBL3635938 0.82 CES2 (0.47) GAACES2CES1KCNN4CNR2
SCHEMBL4245530 0.81 GAA (0.53) GAACES2CES1KCNN4CNR2
SCHEMBL2662687 0.80 CES2 (0.46) GAACES2CES1CNR2IDO1
SCHEMBL11965195 0.80 CES2 (0.46) GAACES2CES1CNR2ALDH1A1
SCHEMBL6774538 0.78 CES2 (0.61) GAACES2CES1KCNN4CNR2
SCHEMBL27602661 0.78 GAA (0.50) GAACES2CES1KCNN4CNR2
SCHEMBL11214243 0.78 GAA (0.50) GAACES2CES1KCNN4CNR2
SCHEMBL7471753 0.77 CES2 (0.49) CES2CES1KCNN4IDO1TDO2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103274961-A Compositions and methods of treating cell proliferation disorders KINEX PHARMACEUTICALS LLC 2013-09-04 CN disclosed
CN-101184734-A Compounds and methods for treating cell proliferation disorders KINEX PHARMACEUTICALS LLC (US) 2008-05-21 CN disclosed
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
CN-1292697-A Anti-viral compound LILLY CO ELI (US) 2001-04-25 CN disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed