SCHEMBL6625409

SCHEMBL6625409

COC(=O)C1CCc2ccccc2N1I

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MTNR1A P48039 4/20 0.44
MEN1 O00255 3/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
ACE P12821 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NOTUM Q6P988 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
SCHEMBL27466432 0.84 KMT2A (0.47) KMT2AMTNR1AMEN1TSHRLMNA
SCHEMBL17559114 0.84 MTNR1A (0.54) KMT2AMTNR1AMEN1TSHRLMNA
SCHEMBL27483252 0.84 KMT2A (0.47) KMT2AMTNR1AMEN1TSHRLMNA
SCHEMBL5965355 0.81 KMT2A (0.51) KMT2AMTNR1AMEN1TSHRACE
SCHEMBL5965361 0.81 KMT2A (0.51) KMT2AMTNR1AMEN1TSHRACE
SCHEMBL27548369 0.81 KMT2A (0.51) KMT2AMTNR1AMEN1TSHRLMNA
SCHEMBL8905911 0.77 KMT2A (0.47) KMT2AMTNR1AMEN1TSHRACE
SCHEMBL6193812 0.76 POLB (0.52) KMT2AMEN1TSHRPOLBACE
SCHEMBL29443080 0.76 KMT2A (0.46) KMT2AMEN1ACE
SCHEMBL21490396 0.76 KMT2A (0.46) KMT2AMEN1ACE

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
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 EP disclosed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 WO disclosed