SCHEMBL7448792

SCHEMBL7448792

Cc1ccnc(C(C)(N)CN)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
NUDT1 P36639 2/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL790845 0.76 UHRF1 (0.36) KMT2AMAPTCYP2C9ALOX15NPSR1
SCHEMBL13806057 0.73 ALOX15 (0.35) KMT2AMAPTCYP2C9ALOX15NPSR1
SCHEMBL1092751 0.72 ALOX15 (0.37) KMT2AMAPTCYP2C9ALOX15NPSR1
SCHEMBL20909664 0.72 MAP4K1 (0.35) KMT2AALOX15NPSR1NPC1RAB9A
SCHEMBL27253721 0.72 RXRA (0.33) KMT2AMAPTCYP2C9ALOX15NPSR1
SCHEMBL24690690 0.71 ALOX15 (0.36) KMT2AALOX15NPSR1NPC1RAB9A
SCHEMBL2632680 0.70 MALT1 (0.46) MAPTCYP2C9ALOX15NPSR1
SCHEMBL13806008 0.69 IDH1 (0.33) KMT2AALOX15NPSR1
SCHEMBL17050212 0.68 KMT2A (0.34) KMT2AALOX15NPSR1
SCHEMBL25594452 0.68 EDNRB (0.35) KMT2AMAPTCYP2C9ALOX15NUDT1

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
US-5561135-A PSYCHOLOGICAL DISORDERS FERRER INTERNACIONAL, S.A. (ES) 1996-10-01 US claimed
US-5561135-A PSYCHOLOGICAL DISORDERS FERRER INTERNACIONAL, S.A. (ES) 1996-10-01 US disclosed
EP-0660819-A1 NEW N,N,N',N'-TETRASUBSTITUTED-1,2-ETHANEDIAMINE DERIVATIVE COMPOUNDS. FERRER INT (ES) 1995-07-05 EP disclosed
WO-1995003270-A1 NEW N,N,N',N'-TETRASUBSTITUTED-1,2-ETHANEDIAMINE DERIVATIVE COMPOUNDS FERRER INTERNACIONAL, S.A. (ES) 1995-02-02 WO disclosed