SCHEMBL4668320

SCHEMBL4668320

O=C1N=C(Nc2cc[c]cc2)SC1=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.46
PIM2 Q9P1W9 2/20 0.46
ALOX5 P09917 16/20 0.42
PIP4K2A P48426 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
Acetic Acid SCHEMBL4128364 0.82 ALOX5 (0.42) PIM1PIM2ALOX5KDM4E
Acetic Acid SCHEMBL4128367 0.82 ALOX5 (0.42) PIM1PIM2ALOX5KDM4E
SCHEMBL6264140 0.70 ALOX5 (0.65) ALOX5
SCHEMBL4138655 0.69 ALOX5 (0.46) ALOX5
Acetic Acid SCHEMBL4635017 0.69 ALOX5 (0.55) ALOX5
Acetic Acid SCHEMBL4137023 0.69 ALOX5 (0.55) ALOX5
SCHEMBL5543407 0.69 MAPT (0.50) KDM4E
SCHEMBL4356532 0.68 ALOX5 (0.46) PIM1PIM2ALOX5
SCHEMBL4356536 0.68 ALOX5 (0.46) PIM1PIM2ALOX5
Acetic Acid SCHEMBL4120750 0.68 ALOX5 (0.40) PIM1PIM2ALOX5

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 claimed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO claimed