SCHEMBL7375900

SCHEMBL7375900

COc1cccc(NC(=N)Nc2cccc3ccccc23)c1.N=C(Nc1cccc2c1CCC2)Nc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
RAB9A P51151 4/20 0.57
TRPV1 Q8NER1 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 2/20 0.45
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL6721386 0.92 RAB9A (0.53) KMT2ARAB9ATRPV1ALDH1A1MAPK1
SCHEMBL6721186 0.87 KMT2A (0.74) KMT2ARAB9ATRPV1ALDH1A1NPC1
SCHEMBL7375544 0.86 LMNA (0.51) KMT2ARAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL7378410 0.86 RAB9A (0.45) KMT2ARAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL6719061 0.84 ALDH1A1 (0.48) KMT2ARAB9AALDH1A1L3MBTL1MEN1
SCHEMBL7377502 0.78 KMT2A (0.62) KMT2ARAB9ATRPV1ALDH1A1NPC1
SCHEMBL6717182 0.77 NPC1 (0.50) KMT2ARAB9AALDH1A1L3MBTL1NPC1
SCHEMBL7375903 0.75 SIGMAR1 (0.58) KMT2ARAB9AALDH1A1NPC1MEN1
SCHEMBL8996663 0.75 SIGMAR1 (0.56) KMT2ATRPV1ALDH1A1L3MBTL1MEN1
SCHEMBL6717068 0.75 KDM4E (0.44) KMT2ARAB9AALDH1A1MEN1KDM4E

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