SCHEMBL6695231

SCHEMBL6695231

CCNC(=O)N(C(=N)N)c1ccccc1OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
CTSD P07339 1/20 0.40
F2 P00734 1/20 0.40
MTNR1B P49286 4/20 0.40
MTNR1A P48039 3/20 0.40
ESR1 P03372 1/20 0.39
NFE2L2 Q16236 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
ABL1 P00519 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL11072684 0.82 F2 (0.39) F2POLBMEN1TP53KMT2A
Hydrochloric Acid SCHEMBL11057705 0.81 F2 (0.38) F2POLBMEN1TP53KMT2A
SCHEMBL11139029 0.81 ALDH1A1 (0.39) HSD17B10ESR1SMN1; SMN2MEN1KMT2A
SCHEMBL6694938 0.77 OPRM1 (0.42) F2MTNR1BMTNR1AMEN1TP53
SCHEMBL10906692 0.76 MEN1 (0.39) ESR1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10903886 0.75 LMNA (0.36) HSD17B10POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6695226 0.73 F2 (0.46) HSD17B10CTSDF2MTNR1BMTNR1A
SCHEMBL10907705 0.72 KMT2A (0.36) ESR1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL11057149 0.71 CACNA1C (0.38) MTNR1ASMN1; SMN2MEN1TP53KMT2A
SCHEMBL10855153 0.71 HTT (0.40) HSD17B10POLBSMN1; SMN2KMT2AMAPT

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