SCHEMBL21886435

SCHEMBL21886435

Nc1cccc(Oc2ccc(N)c(Nc3cccc(C(c4cccc(N)c4)(C(F)(F)F)C(F)(F)F)c3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
MAOB P27338 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
CDK8 P49336 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSP90AA1 P07900 1/20 0.36
TTBK1 Q5TCY1 2/20 0.36

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
SCHEMBL19186037 0.86 GAA (0.35) MAPTALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL10583295 0.80 MAOB (0.54) MAPTALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL250124 0.79 MAOB (0.56) MAPTALDH1A1GAASMN1; SMN2MAOB
SCHEMBL29360696 0.79 MAOB (0.56) MAPTALDH1A1GAASMN1; SMN2MAOB
SCHEMBL19302063 0.79 MEN1 (0.40) MAPTALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL10823794 0.76 ALDH1A1 (0.50) MAPTALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL6295118 0.76 MAPT (0.77) MAPTALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL29390225 0.75 MAOB (0.59) MAPTALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL29371179 0.75 MAOB (0.59) MAPTALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL127744 0.75 MAOB (0.59) MAPTALDH1A1GAASMN1; SMN2RAB9A

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-20200108588-A1 LAMINATED FILM AND DISPLAY DEVICE INCLUDING SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-04-09 US disclosed