SCHEMBL1263700

SCHEMBL1263700

C=Cc1ccc(Cn2/c(=N\N=c3\sc4ccccc4n3C)sc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.46
▸ NPC1 O15118 7/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TRPM5 Q9NZQ8 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL1263701 1.00 MAPT (0.46) MAPTNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL1263348 0.87 NPC1 (0.41) MAPTNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL1263347 0.87 NPC1 (0.41) MAPTNPC1SMN1; SMN2RAB9AALDH1A1
Tetrabuthylammonium SCHEMBL5550079 0.80 TSHR (0.40) MAPTNPC1SMN1; SMN2RAB9AALDH1A1
Tetrabuthylammonium SCHEMBL5550075 0.80 TSHR (0.40) MAPTNPC1SMN1; SMN2RAB9AALDH1A1
Tetrabuthylammonium SCHEMBL1263694 0.80 TSHR (0.41) MAPTNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL14922870 0.77 L3MBTL1 (0.72) MAPTSMN1; SMN2RAB9AKDM4EUSP2
SCHEMBL14922869 0.76 L3MBTL1 (0.50) SMN1; SMN2ALDH1A1CYP1A2KDM4EUSP2
SCHEMBL12926218 0.76 MAPK1 (0.35) MAPTNPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL1262943 0.76 MAPT (0.68) MAPTNPC1SMN1; SMN2RAB9AALDH1A1

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-8435696-B2 Redox-active polymers and their applications BROWN UNIVERSITY (US) 2013-05-07 — — US disclosed
US-20110031440-A1 REDOX-ACTIVE POLYMERS AND THEIR APPLICATIONS BROWN UNIVERSITY 2011-02-10 — — US disclosed
US-7838687-B2 Redox-active polymers and their applications BROWN UNIVERSITY (US) 2010-11-23 — — US disclosed
US-20070048608-A1 Redox-active polymers and their applications BROWN UNIVERSITY 2007-03-01 — — US disclosed
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