SCHEMBL3410893

SCHEMBL3410893

C=Cc1ccc(Cn2ccnc2C=C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
F2R P25116 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSD17B10 Q99714 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL10337338 0.85 HSD17B10 (0.48) CA1CA2LMNAALDH1A1MEN1
Hydrochloric Acid SCHEMBL29188074 0.83 HSD17B10 (0.47) CA1CA2LMNAL3MBTL1ALDH1A1
SCHEMBL3408453 0.82 LMNA (0.59) CA1CA2F2RLMNATP53
Hydrochloric Acid SCHEMBL28317363 0.81 LMNA (0.57) CA1CA2F2RLMNATP53
SCHEMBL11050806 0.77 CA1 (0.51) CA1CA2ALDH1A1POLBMEN1
SCHEMBL11048906 0.74 AGTR1 (0.50) CA1CA2POLBHSP90AA1
SCHEMBL1490959 0.72 ADORA2B (0.33) LMNAALDH1A1POLBKMT2ACYP1A2
SCHEMBL3024263 0.71 L3MBTL1 (0.35) CA1CA2F2RLMNATP53
Hydrochloric Acid SCHEMBL9443704 0.71 ADORA2B (0.33) CYP1A2CYP3A4CYP2D6
SCHEMBL6886638 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257669-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF The Board Of Trustees Of The University Of Alabama (US) 2010-12-08 EP disclosed
WO-2010056790-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2010-05-20 WO disclosed
WO-2009105236-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-08-27 WO disclosed