SCHEMBL5330835

SCHEMBL5330835

Cc1ccc(-c2ccc(-c3ccc(C=O)n3-c3ccc(F)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.48
KMT2A Q03164 4/20 0.39
PTGS1 P23219 3/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ACHE P22303 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
TSHR P16473 1/20 0.38
ABCB1 P08183 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5330829 0.85 ABCB1 (0.39) PTGS2KMT2APTGS1MEN1ACHE
SCHEMBL5330822 0.82 PTGS2 (0.43) PTGS2PTGS1KDM4EMAPTLMNA
SCHEMBL5311718 0.82 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL13231751 0.73 PTGS2 (0.58) PTGS2KMT2APTGS1MEN1KDM4E
SCHEMBL12328072 0.72 PTGS2 (0.73) PTGS2KMT2APTGS1MEN1KDM4E
SCHEMBL9039798 0.69 ALDH1A1 (0.41) PTGS2KMT2AMEN1KDM4EMAPT
SCHEMBL20804472 0.69 ACHE (0.81) KMT2APTGS1MEN1ACHENPC1
SCHEMBL422511 0.69 ACHE (0.81) KMT2APTGS1MEN1ACHENPC1
SCHEMBL12980347 0.68 PTGS2 (0.44) PTGS2KMT2APTGS1MEN1ACHE
SCHEMBL3035449 0.66 PTGS2 (0.75) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed