SCHEMBL5740332

SCHEMBL5740332

O=C(O)c1cccc2c(F)c(O)ccc12.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
ALB P02768 1/20 0.47
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HMGB1 P09429 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA9 Q16790 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KDM4A O75164 2/20 0.44
EGLN1 Q9GZT9 2/20 0.44

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
SCHEMBL2748162 0.98 NR4A1 (0.50) NR4A1NR4A2NR4A3ALBKDM4E
Water SCHEMBL5740328 0.95 NR4A1 (0.47) NR4A1NR4A2NR4A3ALBKDM4E
SCHEMBL28575439 0.80 NR4A1 (0.70) NR4A1NR4A2NR4A3ALBKDM4E
SCHEMBL3389447 0.79 NR4A1 (0.53) NR4A1NR4A2NR4A3ALBKDM4E
SCHEMBL30388521 0.79 NR4A1 (0.53) NR4A1NR4A2NR4A3ALBKDM4E
SCHEMBL2748381 0.78 LMNA (0.51) NR4A2KDM4EALDH1A1CA12CA1
SCHEMBL10012443 0.78 NR4A1 (0.67) NR4A1NR4A2NR4A3ALBKDM4E
SCHEMBL11857852 0.78 NR4A1 (0.67) NR4A1NR4A2NR4A3ALBKDM4E
SCHEMBL29406795 0.78 NR4A1 (0.73) NR4A1NR4A2NR4A3ALBKDM4E
SCHEMBL27985 0.78 NR4A1 (0.73) NR4A1NR4A2NR4A3ALBKDM4E

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-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO disclosed