SCHEMBL11247636

SCHEMBL11247636

COCCNCCNC(=O)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
GLA P06280 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SLC6A2 P23975 3/20 0.60
SLC6A4 P31645 3/20 0.60
SLC6A3 Q01959 3/20 0.60
HPGD P15428 3/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 1/20 0.54
MAPK8 P45983 1/20 0.53
MAPK10 P53779 1/20 0.53
ATM Q13315 1/20 0.53
NPC1 O15118 2/20 0.51
CNR1 P21554 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 1/20 0.50
CA2 P00918 1/20 0.50
KCNH2 Q12809 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL12500219 0.91 KDM4E (0.71) KDM4EGLAL3MBTL1HPGDGAA
Phenylacetic Acid SCHEMBL1835502 0.84 AKR1B1 (0.59) KDM4EGLAL3MBTL1HPGDGAA
Phenylacetic Acid SCHEMBL5550380 0.81 KDM4E (0.56) KDM4EL3MBTL1GAALMNAMAPK8
SCHEMBL31662771 0.79 LMNA (0.64) KDM4EL3MBTL1LMNANPC1KMT2A
SCHEMBL11111266 0.79 GAA (0.62) L3MBTL1HPGDGAALMNAATM
SCHEMBL5550382 0.79 KDM4E (0.47) KDM4EGLAL3MBTL1HPGDLMNA
Bromide SCHEMBL11105861 0.78 GAA (0.60) L3MBTL1HPGDGAALMNAATM
Hydrochloric Acid SCHEMBL11105183 0.78 GAA (0.60) L3MBTL1HPGDGAALMNAATM
SCHEMBL16384277 0.77 CYP3A4 (0.63) KDM4EHPGDGAALMNANPC1
SCHEMBL15229237 0.77 NPC1 (0.59) KDM4EL3MBTL1HPGDGAALMNA

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