SCHEMBL15958409

SCHEMBL15958409

CCOC(=O)C(C1CCCCC1)N1N=C(CN(C)Br)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 5/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
ATM Q13315 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
NPBWR1 P48145 1/20 0.31
CYP2D6 P10635 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL15957871 0.79
SCHEMBL361217 0.70 L3MBTL1 (0.35) L3MBTL1TSHRKDM4EATMKMT2A
SCHEMBL10079931 0.67 HTR2C (0.43) L3MBTL1TSHR
SCHEMBL15344551 0.64
SCHEMBL22485443 0.64 HTR2C (0.32)
SCHEMBL360012 0.62 EPHX2 (0.33) L3MBTL1TSHRALDH1A1TP53ATM
SCHEMBL197612 0.61 ALDH1A1 (0.48) L3MBTL1TSHRALDH1A1KDM4ENPSR1
SCHEMBL198506 0.61 ALDH1A1 (0.48) L3MBTL1TSHRALDH1A1KDM4ENPSR1
SCHEMBL660922 0.60 ALDH1A1 (0.54) L3MBTL1TSHRALDH1A1KDM4ENPSR1
SCHEMBL1433202 0.60 ALDH1A1 (0.62) L3MBTL1TSHRALDH1A1KDM4ENPSR1

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-8809383-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-08-19 US disclosed