SCHEMBL2851823

SCHEMBL2851823

C1=Cc2cccc1c2.Cc1cccc(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.52
CASP1 P29466 2/20 0.46
CYP3A4 P08684 2/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 10/20 0.41
TSHR P16473 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP7 P55210 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
MAPK1 P28482 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL11735289 0.86 ACHE (0.71) ACHECASP1CYP3A4RECQLALDH1A1
SCHEMBL29350699 0.86
SCHEMBL11789 0.86
SCHEMBL11219986 0.84
SCHEMBL22719995 0.84
Methylamine SCHEMBL11826976 0.84 ACHE (0.67) ACHECASP1CYP3A4RECQLALDH1A1
Water SCHEMBL8601211 0.84
Hydrochloric Acid SCHEMBL4376578 0.84 ACHE (0.67) ACHECASP1CYP3A4RECQLALDH1A1
Ammonia Solution, Strong SCHEMBL2551919 0.84
Ammonia Solution, Strong SCHEMBL7913171 0.84 ACHE (0.67) ACHECASP1CYP3A4RECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100026172-A1 ORGANIC LIGHT-EMITTING DEVICE SHOWA DENKO K.K. (JP) 2010-02-04 US disclosed
EP-2075311-A1 ORGANIC LIGHT-EMITTING DEVICE Showa Denko K.K. (JP) 2009-07-01 EP disclosed