SCHEMBL11247639

SCHEMBL11247639

COCCNCCN(C(C)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 7/20 0.45
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
LMNA P02545 1/20 0.42
ADRB2 P07550 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL11155792 0.86 ADRA2C (0.51) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL11656565 0.84 ALDH1A1 (0.48) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL1838733 0.81 ALDH1A1 (0.49) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL28192547 0.81 KCNH2 (0.59) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL1832831 0.78 MTNR1A (0.49) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL15866327 0.77 KDM4E (0.47) KDM4EALDH1A1GAAMAPK1MEN1
SCHEMBL10099720 0.77 MEN1 (0.62) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL11855609 0.76 MTNR1A (0.70) ALDH1A1MEN1KMT2AL3MBTL1TSHR
Phthalic Acid SCHEMBL1836759 0.76 MAPK1 (0.64) KDM4EALDH1A1GAAMAPK1MEN1
SCHEMBL13852906 0.75 MEN1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4314079-A Novel methoxyethylamine AMERICAN CYANAMID COMPANY (US) 1982-02-02 US claimed
EP-0010851-A2 Process for the preparation of tetramisole AMERICAN CYANAMID COMPANY (US) 1980-05-14 EP claimed