SCHEMBL16906398

SCHEMBL16906398

Nc1ccc(N=Nc2ccc(N)c(C(F)(F)F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ PKM P14618 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ TSHR P16473 3/20 0.42
▸ GLA P06280 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KIF11 P52732 2/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38

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
SCHEMBL16906397 1.00 MAPT (0.52) MAPTRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL20258489 0.92 HTR3E (0.42) MAPTRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL7567112 0.85 TSHR (0.44) MAPTRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL18084255 0.83 FFAR4 (0.40) SMN1; SMN2TDP1TSHRGLAPOLB
SCHEMBL20251153 0.82 CYP3A4 (0.54) MAPTRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL8521664 0.80 MAPK1 (0.47) MAPTRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL12990290 0.80 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL9657592 0.80 MEN1 (0.52) MAPTRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL9657595 0.80 MEN1 (0.52) MAPTRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL11415074 0.79 MAPT (0.48) MAPTRAB9ANPC1SMN1; SMN2TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834644-B1 Photomechanically active copolyimides derived from an azobenzenediamine, a rigid dianhydride, and a flexible dianhydride THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2017-12-05 — — US claimed
US-9085661-B1 Photomechanically active copolyimides derived from an azobenzenediamine, a rigid dianhydride, and a flexible dianhydride THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2015-07-21 — — US claimed
US-9834644-B1 Photomechanically active copolyimides derived from an azobenzenediamine, a rigid dianhydride, and a flexible dianhydride THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2017-12-05 — — US disclosed
US-9085661-B1 Photomechanically active copolyimides derived from an azobenzenediamine, a rigid dianhydride, and a flexible dianhydride THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2015-07-21 — — US disclosed
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