SCHEMBL7345992

SCHEMBL7345992

COc1cccc(NC(=N)Nc2cccc(OC)c2)c1.N=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
GAA P10253 4/20 0.59
ALDH1A1 P00352 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
HTT P42858 1/20 0.58
RXFP1 Q9HBX9 1/20 0.55
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
NPC1 O15118 1/20 0.52
AKR1C3 P42330 1/20 0.52

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
SCHEMBL6719698 1.00 MAPT (0.59) MAPTGAAALDH1A1TDP1L3MBTL1
SCHEMBL2288364 0.86 MAPT (0.64) MAPTGAAALDH1A1TDP1L3MBTL1
SCHEMBL6720800 0.86 TP53 (0.60) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5142344 0.83 SMN1; SMN2 (0.69) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL22864104 0.83 AKR1C3 (0.61) MAPTGAAALDH1A1TDP1L3MBTL1
SCHEMBL7167196 0.81 RXFP1 (0.57) MAPTGAAALDH1A1TDP1L3MBTL1
SCHEMBL6728267 0.81 MEN1 (0.63) MAPTGAAALDH1A1TDP1L3MBTL1
SCHEMBL23720127 0.80 L3MBTL1 (0.58) MAPTGAAALDH1A1TDP1L3MBTL1
SCHEMBL11117603 0.79 MAPT (0.56) MAPTGAAALDH1A1TDP1L3MBTL1
SCHEMBL6719703 0.79 SIGMAR1 (0.78) MAPTGAAALDH1A1TDP1L3MBTL1

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
EP-0726706-A4 N,N'-DISUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS OREGON STATE (US) 1997-11-19 EP disclosed
EP-0726706-A1 N,N'-DISUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON BY AND THROUGH OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OREGON HEALTH SC. UNIV. AND OREGON STATE UNIV. (US) 1996-08-21 EP disclosed
WO-1993017555-A1 N,N'-DISUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1993-09-16 WO disclosed
US-5190976-A Neuroprotective STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND UNIVERSITY OF OREGON (US) 1993-03-02 US disclosed