SCHEMBL14639729

SCHEMBL14639729

CC(=O)N1CCC(Nc2ccccc2SC2=CCC(Cl)C=C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NSD2 O96028 1/20 0.39
MAPK3 P27361 2/20 0.37
JAK1 P23458 2/20 0.36
MAPT P10636 1/20 0.36
BRD4 O60885 1/20 0.36
KMT2A Q03164 1/20 0.36
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
EPHX2 P34913 3/20 0.34
RORC P51449 1/20 0.34
QPCT Q16769 1/20 0.34
QPCTL Q9NXS2 1/20 0.34
SCD O00767 1/20 0.33
PRMT5 O14744 1/20 0.33

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
SCHEMBL641004 0.76 LMNA (0.65) ALDH1A1LMNASMN1; SMN2NSD2MAPK3
SCHEMBL642366 0.76 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2NSD2MAPK3
SCHEMBL30352893 0.70 EPHX2 (0.55) ALDH1A1NSD2JAK1MAPTBRD4
SCHEMBL25009521 0.69 MAPT (0.49) LMNANSD2MAPK3JAK1MAPT
SCHEMBL30271400 0.69 NSD2 (0.49) LMNASMN1; SMN2NSD2MAPK3JAK1
SCHEMBL16407626 0.69 MAPT (0.55) NSD2MAPK3JAK1MAPTBRD4
SCHEMBL9965472 0.69 NSD2 (0.49) NSD2MAPK3JAK1MAPTBRD4
SCHEMBL642920 0.69 NSD2 (0.49) LMNASMN1; SMN2NSD2MAPK3JAK1
SCHEMBL9965473 0.67 TSHR (0.54) ALDH1A1SMN1; SMN2NSD2JAK1MAPT
SCHEMBL25011533 0.67 NSD2 (0.50) NSD2MAPK3JAK1MAPTBRD4

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