SCHEMBL2785192

SCHEMBL2785192

Nc1ccc(Oc2ccc(CCc3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1.Nc1cccc(Oc2ccc(CCc3ccc(Oc4cccc(N)c4)cc3)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
GFER P55789 2/20 0.66
MAPT P10636 2/20 0.66
MITF O75030 1/20 0.66
GAA P10253 1/20 0.66
NLRP1 Q9C000 1/20 0.66
NOD2 Q9HC29 1/20 0.66
MAOB P27338 3/20 0.63
CYP19A1 P11511 2/20 0.61
MAOA P21397 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
NLRP3 Q96P20 1/20 0.53
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LTA4H P09960 1/20 0.49

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
SCHEMBL308892 0.96 MAOB (0.68) ALDH1A1SMN1; SMN2MEN1KMT2AGFER
SCHEMBL29363121 0.96 MAOB (0.68) ALDH1A1SMN1; SMN2MEN1KMT2AGFER
SCHEMBL1482835 0.89 MAOB (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AGFER
SCHEMBL7866558 0.89 MAOB (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AGFER
SCHEMBL29363434 0.89 MAOB (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AGFER
SCHEMBL23322163 0.89 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2AGFER
SCHEMBL29366093 0.89 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2MEN1KMT2AGFER
SCHEMBL15876510 0.89 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2MEN1KMT2AGFER
SCHEMBL8432560 0.89 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2MEN1KMT2AGFER
SCHEMBL63373 0.89 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2MEN1KMT2AGFER

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-20100132989-A1 NOVEL POLYIMIDE PRECURSOR COMPOSITION AND USE THEREOF KANEKA CORPORATION (JP) 2010-06-03 US disclosed