SCHEMBL27749764

SCHEMBL27749764

O=CC(=O)c1cc2ccc(OCC3CC3)cc2c2cc(Br)ccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 9/20 0.43
▸ PARP15 Q460N3 8/20 0.43
▸ MTNR1A P48039 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ PARP2 Q9UGN5 2/20 0.37
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ KDR P35968 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ LRRK2 Q5S007 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
SCHEMBL27689931 0.81 RXFP1 (0.54) MEN1KMT2ARXFP1
SCHEMBL1758227 0.79 PARP15 (0.51) PARP10PARP15MTNR1APARP2SLC6A2
SCHEMBL28756416 0.72 RXFP1 (0.70) MEN1KMT2ARXFP1
SCHEMBL27770177 0.67 RXFP1 (0.46) MEN1KMT2ARXFP1
SCHEMBL1758249 0.67 NFE2L2 (0.42) PARP10PARP15MTNR1ASLC6A2SLC6A4
SCHEMBL11310482 0.66 SLC6A2 (0.48) PARP10PARP15MTNR1ASLC6A2SLC6A4
SCHEMBL21123272 0.65 LSS (0.64) PARP10PARP15MEN1KMT2APARP2
SCHEMBL1758422 0.65 MTNR1A (0.49) PARP10PARP15MTNR1APARP2SLC6A2
SCHEMBL9966867 0.65 PARP15 (0.55) PARP10PARP15PARP2
SCHEMBL29053388 0.64 PARP10 (0.49) PARP10PARP15PARP2

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
CN-101370787-B 2- (phenyl or heterocyclyl) -1H-phenanthro [9,10-d ] imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD 2011-05-25 — — CN disclosed
CN-101370787-A 2- (phenyl or heterocyclyl) -1H-phenanthro [9, 10-d ] imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD (CA) 2009-02-18 — — CN disclosed
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