SCHEMBL14033372

SCHEMBL14033372

O=C(c1ccccc1)c1ccc(NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ITGA1 P56199 2/20 0.54
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
MAPK14 Q16539 1/20 0.53
PTPN1 P18031 1/20 0.53
CA2 P00918 3/20 0.51
PTPN11 Q06124 1/20 0.51
ABCC9 O60706 2/20 0.50
ABCC8 Q09428 2/20 0.50
KCNJ11 Q14654 2/20 0.50
PDK1 Q15118 2/20 0.50
PDK2 Q15119 2/20 0.50
PDK3 Q15120 2/20 0.50

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
SCHEMBL7279576 0.84 MAPK1 (0.62) MAPK1SMN1; SMN2KMT2APTPN1CA2
SCHEMBL216185 0.82 PTPN1 (0.62) MAPK1SMN1; SMN2MEN1KMT2APTPN1
SCHEMBL1976973 0.80 PTPN1 (0.60) MAPK1SMN1; SMN2MEN1KMT2APTPN1
SCHEMBL28665290 0.80 PTPN1 (0.60) MAPK1SMN1; SMN2MEN1KMT2APTPN1
SCHEMBL3378865 0.79 SMN1; SMN2 (0.60) MAPK1SMN1; SMN2PTPN1CA2PTPN11
SCHEMBL4724618 0.79 SMN1; SMN2 (0.70) LMNAHPGDMAPK1SMN1; SMN2MEN1
SCHEMBL7433625 0.79 MAPK1 (0.60) MAPK1SMN1; SMN2PTPN1CA2PTPN11
SCHEMBL27867721 0.79 HPGD (0.67) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL17941569 0.77 MAPK1 (0.72) MAPK1SMN1; SMN2PTPN1CA2PTPN11
SCHEMBL11706791 0.77 HPGD (0.70) LMNAHPGDMEN1KMT2AITGA1

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-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed