SCHEMBL2785194

SCHEMBL2785194

Nc1ccc(Oc2ccc(CC(c3ccc(Oc4ccc(N)cc4)cc3)C(Cc3ccc(Oc4cccc(N)c4)cc3)c3ccc(Oc4cccc(N)c4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.54
MITF O75030 1/20 0.54
GAA P10253 1/20 0.54
GFER P55789 1/20 0.54
NLRP1 Q9C000 1/20 0.54
NOD2 Q9HC29 1/20 0.54
MAOB P27338 2/20 0.53
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NLRP3 Q96P20 1/20 0.45
MAOA P21397 1/20 0.44
LTA4H P09960 1/20 0.43
ATM Q13315 1/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL29436304 0.84 MAOB (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7865335 0.84 MAOB (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL23322163 0.81 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2785192 0.81 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL29366093 0.80 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL15876510 0.80 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL63373 0.80 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8432560 0.80 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL710424 0.80 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2787079 0.80 MAOB (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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