SCHEMBL14639726

SCHEMBL14639726

O=C(C1CCCC1)N1CCC(NCc2ccccc2Oc2ccc(CI)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAMPT P43490 1/20 0.38
MAPK14 Q16539 2/20 0.38
ALDH1A1 P00352 2/20 0.37
DRD4 P21917 1/20 0.37
MAPK1 P28482 1/20 0.37
DPP4 P27487 1/20 0.37
PARP1 P09874 1/20 0.37
HPGD P15428 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
LMNA P02545 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL642224 0.88 SLC6A4 (0.46) MEN1KMT2APOLBHRH3ALDH1A1
SCHEMBL641547 0.87 KMT2A (0.46) MEN1KMT2APOLBKDM4EHRH3
SCHEMBL14639764 0.85 MEN1 (0.43) MEN1KMT2APOLBHRH3MAPK14
SCHEMBL14639763 0.83 NAMPT (0.42) MEN1KMT2APOLBKDM4ENAMPT
SCHEMBL642465 0.74 SLC6A4 (0.52) MEN1KMT2APOLBKDM4EHRH3
SCHEMBL9965443 0.73 SLC6A4 (0.48) MEN1KMT2APOLBHRH3ALDH1A1
SCHEMBL641796 0.73 SLC6A4 (0.50) MEN1KMT2APOLBKDM4EHRH3
SCHEMBL640921 0.73 CCR8 (0.57) MEN1KMT2APOLBHRH3DRD4
SCHEMBL641293 0.71 SLC6A4 (0.47) MEN1KMT2APOLBKDM4EHRH3
SCHEMBL9965414 0.70 KMT2A (0.49) MEN1KMT2ANAMPT

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