SCHEMBL18826531

SCHEMBL18826531

Nc1ccc(/N=N/c2ccc(Sc3ccc(NNc4ccc(N)cc4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HTT P42858 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ CA12 O43570 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ TTBK1 Q5TCY1 1/20 0.39

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
SCHEMBL18826529 0.77 MAPT (0.54) MAPTRAB9AMEN1KMT2AL3MBTL1
SCHEMBL11329226 0.73 MAPT (1.00) MAPTRAB9AMEN1KMT2AL3MBTL1
SCHEMBL11329248 0.73 MAPT (1.00) MAPTRAB9AMEN1KMT2AL3MBTL1
SCHEMBL16556 0.73 MAPT (1.00) MAPTRAB9AMEN1KMT2AL3MBTL1
SCHEMBL11329238 0.73 MAPT (1.00) MAPTRAB9AMEN1KMT2AL3MBTL1
SCHEMBL11318226 0.73 MAPT (1.00) MAPTRAB9AMEN1KMT2AL3MBTL1
SCHEMBL205992 0.73 MAPT (1.00) MAPTRAB9AMEN1KMT2AL3MBTL1
SCHEMBL9485438 0.73 CYP3A4 (1.00) MAPTMEN1KMT2ACYP3A4TDP1
SCHEMBL9649030 0.73 CYP3A4 (1.00) MAPTMEN1KMT2ACYP3A4TDP1
SCHEMBL9485453 0.73 CYP3A4 (1.00) MAPTMEN1KMT2ACYP3A4TDP1

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-9644071-B1 Bis(azobenzene) diamines and photomechanical polymers made therefrom THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2017-05-09 — — US disclosed
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