SCHEMBL6692884

SCHEMBL6692884

CCONC(=O)N(C(=N)N)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PLAU P00749 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
SCHEMBL6694938 0.81 OPRM1 (0.42) KMT2AMEN1ALDH1A1GLATSHR
SCHEMBL28665242 0.79 KMT2A (0.47) KMT2AMEN1ALDH1A1GLATSHR
SCHEMBL11238745 0.79 LMNA (0.38) KMT2AMEN1ALDH1A1GLATSHR
Hydrochloric Acid SCHEMBL11074227 0.78 ALDH1A1 (0.36) KMT2AALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL11211446 0.78 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1GLATSHR
SCHEMBL23116471 0.76 TP53 (0.56) KMT2AMEN1ALDH1A1GLATSHR
SCHEMBL6699646 0.76 NPSR1 (0.36) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL6691763 0.76 NPSR1 (0.36) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL6695686 0.76 NPSR1 (0.36) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL28515349 0.76 NPSR1 (0.36) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2

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
JP-3553083-B2 2004-08-11 JP claimed
EP-0852494-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-15 EP claimed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO claimed