SCHEMBL7374487

SCHEMBL7374487

CCc1ccccc1NC(=N)Nc1cccc(C)c1.CCc1ccccc1NC(=N)Nc1ccccc1I

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
KDR P35968 1/20 0.44
PTGER3 P43115 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6720626 0.92 KMT2A (0.56) KMT2AMEN1MAPTKCNK3KCNK9
SCHEMBL6724652 0.90 HSD17B10 (0.46) KMT2AMEN1MAPTHSD17B10TRPV1
SCHEMBL7374532 0.88 GAA (0.47) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL6720666 0.85 MAPT (0.49) KMT2AMEN1MAPTKCNK3KCNK9
SCHEMBL6720906 0.81 GAA (0.52) KMT2AMEN1MAPTPTGER3ALDH1A1
SCHEMBL6719069 0.79 MAPT (0.56) KMT2AMEN1MAPTKCNK3KCNK9
SCHEMBL6154940 0.77 ALDH1A1 (0.58) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL6728967 0.76 RAB9A (0.54) KMT2AMEN1MAPTPTGER3TRPV1
SCHEMBL6727801 0.76 MAPT (0.52) KMT2AMEN1MAPTKCNK3KCNK9
SCHEMBL6719646 0.75 MEN1 (0.54) KMT2AMEN1MAPTKDRTRPV1

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 claimed
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 claimed
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 claimed
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 claimed