SCHEMBL14639677

SCHEMBL14639677

CCc1ccc(-c2ccccc2NC2CCN(C(C)=O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.48
MAPT P10636 2/20 0.46
BRD4 O60885 1/20 0.44
MLNR O43193 5/20 0.44
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
PRMT5 O14744 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL9965473 0.87 TSHR (0.54) NSD2MAPTBRD4KMT2AALDH1A1
SCHEMBL9965478 0.86 TSHR (0.46) NSD2MAPTBRD4KMT2AALDH1A1
SCHEMBL10224761 0.85 TSHR (0.45) NSD2MAPTBRD4MLNRKMT2A
SCHEMBL9965418 0.85 HDAC3 (0.48) NSD2MAPTMLNRALDH1A1TSHR
SCHEMBL9965412 0.85 MLNR (0.47) NSD2MAPTMLNRKMT2AALDH1A1
SCHEMBL9965471 0.83 DYRK1A (0.50) NSD2MAPTBRD4MLNRKMT2A
SCHEMBL10224856 0.79 CHRM3 (0.50) NSD2MAPTBRD4KMT2AALDH1A1
SCHEMBL9965383 0.79 HCRTR1 (0.47) NSD2MAPTBRD4KMT2AALDH1A1
SCHEMBL9965403 0.79 CHRM3 (0.49) NSD2MAPTBRD4ALDH1A1TSHR
SCHEMBL9965410 0.78 CHRM3 (0.50) NSD2BRD4KMT2ATSHRL3MBTL1

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
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed