SCHEMBL6590908

SCHEMBL6590908

Cc1cc(O)c2c(F)ccc(F)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.36
KMT2A Q03164 2/20 0.35
OPRK1 P41145 1/20 0.35
PIM1 P11309 1/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 3/20 0.35
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
RECQL P46063 1/20 0.33
CCR1 P32246 1/20 0.32
RAB9A P51151 1/20 0.32
CCR5 P51681 1/20 0.32
ALPL P05186 1/20 0.31

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
SCHEMBL1564958 0.83 MAPT (0.57) MAPTKDM4ERAB9AMAPK1
SCHEMBL6586731 0.77 MAPT (0.46) KMT2AMAPTL3MBTL1
SCHEMBL439728 0.77 NR4A2 (0.42) MAPTKDM4ECCR1RAB9ACCR5
SCHEMBL1563835 0.75 MAPT (0.41) METAP2KMT2AOPRK1MAPTKDM4E
SCHEMBL22084269 0.74 KDM4E (0.42) METAP2KMT2AOPRK1MAPTKDM4E
SCHEMBL2711417 0.73 TNKS (0.33) TNKSPARP1TNKS2
SCHEMBL8123552 0.73 IGFBP3 (0.43) KMT2AMAPTKDM4ERAB9AHSD17B14
SCHEMBL6893457 0.72 NQO2 (0.41) MAPTKDM4ECA9CA14L3MBTL1
SCHEMBL27987879 0.72 CYP4F2 (0.38) KMT2AMAPTKDM4ETNKSPARP1
SCHEMBL13348678 0.71 METAP2 (0.43) METAP2KMT2AOPRK1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO disclosed