SCHEMBL4792013

SCHEMBL4792013

COc1ccc2cc(C=C3NN(Nc4ccc(Cc5nnn[nH]5)cc4)CC3=O)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.34
HDAC8 Q9BY41 2/20 0.33
ALPL P05186 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
FAAH O00519 1/20 0.32
CYP19A1 P11511 1/20 0.31
PPARG P37231 1/20 0.31
ALOX5 P09917 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
ABCB1 P08183 1/20 0.30
CYP17A1 P05093 1/20 0.30

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
SCHEMBL4127964 0.75 ALOX5 (0.46) HDAC4HDAC8PPARGALOX5MEN1
SCHEMBL4792009 0.75 DYRK2 (0.53)
SCHEMBL4127969 0.75 ALOX5 (0.46) HDAC4HDAC8PPARGALOX5MEN1
SCHEMBL6150323 0.68 LTA4H (0.47) ALPL
SCHEMBL4120713 0.64 ALOX5 (0.41) HDAC4HDAC8ALOX5MEN1KMT2A
SCHEMBL4120717 0.64 ALOX5 (0.41) HDAC4HDAC8ALOX5MEN1KMT2A
SCHEMBL12017472 0.61 APP (0.33)
SCHEMBL378541 0.61 CYP2A6 (0.38) KMT2A
SCHEMBL11534430 0.60 DAO (0.33) HDAC6
SCHEMBL8432133 0.59 PPARG (0.45) PPARGMEN1KMT2A

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-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP disclosed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO disclosed