SCHEMBL4783535

SCHEMBL4783535

O=C(c1cc2cc[nH]c2cn1)N(O)Cc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.55
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAOB P27338 4/20 0.39
RIPK1 Q13546 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
AHR P35869 2/20 0.37
ALOX5 P09917 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
ESR1 P03372 1/20 0.35
P4HTM Q9NXG6 1/20 0.34
CYP19A1 P11511 1/20 0.34
ABL1 P00519 1/20 0.34
SRC P12931 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL1684112 0.78 MAOB (0.44) TRPM8MAOBHDAC6
Hydrochloric Acid SCHEMBL3845059 0.72 TRPM8 (0.45) TRPM8MAOBNPC1RAB9AHDAC6
SCHEMBL2948359 0.70 MAOB (0.46) TRPM8MAOBRAB9AHDAC6HDAC3
SCHEMBL842840 0.70 HDAC6 (0.52) TRPM8MAOBHDAC6P4HTM
SCHEMBL30354466 0.70 HDAC6 (0.52) TRPM8MAOBHDAC6P4HTM
SCHEMBL14875835 0.69 MMP1 (0.47) TRPM8RIPK1ALOX5CYP19A1HDAC3
SCHEMBL14876434 0.69 CFTR (0.50) TRPM8RIPK1ALOX5P4HTM
SCHEMBL13778764 0.69 HDAC6 (0.48) TRPM8MAOBNPC1RAB9AHDAC6
SCHEMBL1207795 0.69 HDAC6 (0.48) TRPM8MAOBRIPK1HDAC6
SCHEMBL3830566 0.68 HDAC6 (0.47) TRPM8MAOBNPC1RAB9AHDAC6

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-1943249-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-07-16 EP disclosed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 WO disclosed