SCHEMBL9130749

SCHEMBL9130749

CC(=O)NN(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
NAPRT Q6XQN6 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL12305493 0.80 KMT2A (0.53) MTNR1AMTNR1BNAPRTHSD17B10HTT
SCHEMBL8505339 0.78 HTT (0.54) MTNR1AMTNR1BNAPRTHSD17B10HTT
SCHEMBL5170932 0.78 SMN1; SMN2 (0.46) MTNR1AMTNR1BHTTTSHRKMT2A
SCHEMBL9694716 0.77 TDP1 (0.61) HSD17B10KMT2ACYP3A4ALDH1A1TDP1
SCHEMBL20893396 0.77 MTNR1A (0.46) MTNR1AMTNR1BNAPRTHSD17B10HTT
SCHEMBL10416068 0.77 MTNR1A (0.46) MTNR1AMTNR1BNAPRTHSD17B10HTT
SCHEMBL14989351 0.77 KMT2A (0.51) MTNR1AMTNR1BNAPRTHSD17B10HTT
SCHEMBL9545457 0.75 ALDH1A1 (0.52) MTNR1AMTNR1BNAPRTHSD17B10HTT
SCHEMBL28410947 0.74 NPSR1 (0.40) NPSR1KMT2AMEN1ALDH1A1TDP1
SCHEMBL6963066 0.74 MTNR1A (0.43) MTNR1AMTNR1BNAPRTHSD17B10HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103027906-B The application of arctigenin in treatment anemia disease LUNAN PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-11-11 CN disclosed
CN-104688723-A Application of anhydroicaritin in preparation of medicine for treating anaemia LUNAN PHARM GROUP CORP 2015-06-10 CN disclosed
EP-0411716-B1 Biocidal compositions SHELL INT RESEARCH (NL) 1995-03-22 EP disclosed
US-5387580-A A phytopathogenic fungicides and nematocides SHELL RESEARCH LIMITED (GB) 1995-02-07 US disclosed
EP-0411716-A1 Biocidal compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-02-06 EP disclosed