SCHEMBL6502465

SCHEMBL6502465

FC(F)(F)c1cccc(NN2CCNCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 2/20 0.56
HTR2C P28335 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
HTR1D P28221 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
MAPT P10636 4/20 0.55
THRB P10828 1/20 0.55
APP P05067 1/20 0.48
IDH1 O75874 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A4 P31645 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL1807928 0.85 MEN1 (0.56) IDH2ALDH1A1MAPTMEN1KMT2A
SCHEMBL30432445 0.81 LMNA (0.60) IDH2ALDH1A1MAPTMEN1KMT2A
SCHEMBL27875853 0.81 MEN1 (0.46) IDH2ALDH1A1MAPTMEN1KMT2A
SCHEMBL31588115 0.81 IDH2 (0.48) IDH2ALDH1A1MAPTMEN1KMT2A
SCHEMBL5536482 0.80 CTSS (0.44) IDH2HTR2CALDH1A1HTR3EHTR3B
SCHEMBL31587567 0.80 MEN1 (0.45) IDH2ALDH1A1MAPTMEN1KMT2A
SCHEMBL5551984 0.79 ALDH1A1 (0.47) HTR2CALDH1A1HTR1DHTR3AMEN1
SCHEMBL31587536 0.76 L3MBTL1 (0.46) IDH2MAPTMEN1KMT2AL3MBTL1
SCHEMBL2384223 0.76 POLB (0.61) ALDH1A1MAPTIDH1MEN1KMT2A
SCHEMBL31587418 0.76 KMT2A (0.47) IDH2MAPTTHRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
US-6884890-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-04-26 US disclosed