SCHEMBL13735977

SCHEMBL13735977

Cn1cc(C(=O)OCc2ccccc2)nc1C1CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
ADORA3 P0DMS8 3/20 0.40
ELANE P08246 1/20 0.40
HTR2C P28335 1/20 0.40
DGAT1 O75907 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 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
SCHEMBL21290242 0.80 TDP1 (0.49) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL13733547 0.79 TDP1 (0.47) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL13734316 0.78 DGAT1 (0.58) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL24510712 0.78 ALDH1A1 (0.47) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL23745082 0.77 ALDH1A1 (0.46) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL21923219 0.75 KMT2A (0.43) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL13734937 0.75 DGAT1 (0.46) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL25050103 0.72 KMT2A (0.41) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL21345457 0.72 ALDH1A1 (0.57) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL21887009 0.71 KMT2A (0.47) KMT2ATDP1SLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699561-B1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORP (FI) 2015-06-03 EP disclosed
US-8921378-B2 Androgen receptor modulating carboxamides ORION CORPORATION (FI) 2014-12-30 US disclosed
EP-2699561-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES Orion Corporation (FI) 2014-02-26 EP disclosed
WO-2012143599-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORPORATION (FI) 2012-10-26 WO disclosed