SCHEMBL14673147

SCHEMBL14673147

CCCCCCCCCCCCCCN1C(=O)c2c(Br)ccc(Br)c2C1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.52
PTGS2 P35354 3/20 0.52
MGLL Q99685 3/20 0.52
FAAH O00519 1/20 0.52
CDC25A P30304 7/20 0.47
CES1 P23141 2/20 0.47
CNR1 P21554 2/20 0.46
ALDH1A1 P00352 1/20 0.45
ALDH2 P05091 1/20 0.45
ALDH3A1 P30838 1/20 0.45
CNR2 P34972 3/20 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
SCHEMBL2420623 1.00 PTGS1 (0.52) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL17146888 1.00 PTGS1 (0.52) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL17146892 0.93 CNR1 (0.43) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL19351938 0.84 CDC25A (0.51) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL11548699 0.84 CDC25A (0.51) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL11548626 0.82 ALDH1A1 (0.50) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL7932533 0.81 PTGS1 (0.50) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL18105781 0.80 MEN1 (0.54) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL16311238 0.80 PTGS1 (0.48) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL18136093 0.80 PTGS1 (0.48) PTGS1PTGS2MGLLFAAHCDC25A

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
US-9035004-B2 Semiconducting compounds and devices incorporating same POLYERA CORPORATION (US) 2015-05-19 US disclosed
US-9035004-B2 Semiconducting compounds and devices incorporating same POLYERA CORPORATION (US) 2015-05-19 US disclosed
US-9035004-B2 Semiconducting compounds and devices incorporating same POLYERA CORPORATION (US) 2015-05-19 US disclosed
US-20130035464-A1 Semiconducting Compounds and Devices Incorporating Same USINVEST LLC 2013-02-07 US disclosed
US-20130035464-A1 Semiconducting Compounds and Devices Incorporating Same USINVEST LLC 2013-02-07 US disclosed