SCHEMBL8883232

SCHEMBL8883232

O=C(NOCc1cccc2ccccc12)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PARP10 Q53GL7 1/20 0.47
MTNR1A P48039 5/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
NQO2 P16083 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL8884628 0.94 EPHX1 (0.53) EPHX1MEN1KMT2APARP10MTNR1A
SCHEMBL8619791 0.82 MTNR1A (0.72) MTNR1ANQO2MTNR1B
SCHEMBL8884834 0.82 MTNR1A (0.50) MEN1KMT2AMTNR1ANQO2MTNR1B
SCHEMBL8885914 0.81 MTNR1A (0.64) MTNR1ANQO2MTNR1B
SCHEMBL9641021 0.80 ALDH1A1 (0.61) EPHX1MEN1KMT2APARP10MTNR1A
SCHEMBL8886732 0.80 NCEH1 (0.42) EPHX1MEN1KMT2AMTNR1ARAB9A
SCHEMBL8644133 0.79 MTNR1A (0.68) EPHX1MEN1KMT2APARP10MTNR1A
SCHEMBL8885911 0.78 MTNR1A (0.70) MTNR1ANQO2MTNR1B
SCHEMBL11349211 0.78 EPHX1 (0.59) EPHX1MEN1KMT2APARP10SLC1A3
SCHEMBL8884072 0.77 PSMB8 (0.46) MEN1KMT2AMTNR1ARAB9ANQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5612368-A SKIN DISORDERS, MELATONINERGIC SYSTEMS, ANTIARRHYTHMIA AGENTS OR ANTIISCHEMIC AGENTS ADIR ET COMPAGNIE (FR) 1997-03-18 US disclosed