SCHEMBL8945188

SCHEMBL8945188

O=[N+]([O-])c1ccc(Cc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.52
POLB P06746 3/20 0.51
PGR P06401 1/20 0.50
EPHX1 P07099 2/20 0.48
HSP90AA1 P07900 1/20 0.48
TRPV6 Q9H1D0 1/20 0.46
FAAH O00519 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 3/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL2651147 0.90 SLC18A3 (0.60) SLC18A3POLBPGREPHX1HSP90AA1
SCHEMBL1064109 0.88 SLC18A3 (0.62) SLC18A3POLBPGREPHX1HSP90AA1
SCHEMBL10254999 0.88 SLC18A3 (0.58) SLC18A3POLBPGRHSP90AA1TRPV6
SCHEMBL16766380 0.83 PTPRF (0.58) SLC18A3POLBPGREPHX1LMNA
SCHEMBL4452070 0.82 LTA4H (0.44) HSP90AA1LMNAGAAMAPTALDH1A1
SCHEMBL15055241 0.81 MEN1 (0.54) SLC18A3POLBPGRHSP90AA1FAAH
SCHEMBL1066991 0.80 SLC18A3 (0.57) SLC18A3POLBPGRTRPV6CA12
SCHEMBL15911925 0.80 SLC18A3 (0.57) SLC18A3POLBPGRTRPV6CA12
Formic Acid SCHEMBL27535990 0.80 SLC18A3 (0.55) SLC18A3POLBPGREPHX1HSP90AA1
SCHEMBL20245857 0.79 FAAH (0.42) SLC18A3PGRFAAHCA12CA1

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
US-5501884-A Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1996-03-26 US disclosed