SCHEMBL8697170

SCHEMBL8697170

NCc1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
AKR1C3 P42330 1/20 0.52
F2 P00734 1/20 0.52
F10 P00742 1/20 0.52
HTR6 P50406 1/20 0.51
CYP19A1 P11511 1/20 0.51
MAPT P10636 2/20 0.51
GGPS1 O95749 1/20 0.50
CFD P00746 1/20 0.50
HTT P42858 3/20 0.49
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
SLC16A3 O15427 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GPR27 Q9NS67 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL7322835 0.95 MEN1 (0.58) MEN1KMT2AAKR1C3F2F10
SCHEMBL8366277 0.90 MEN1 (0.49) MEN1KMT2AAKR1C3F2F10
Hydrochloric Acid SCHEMBL8368784 0.87 HTR6 (0.65) MEN1KMT2AHTR6MAPTCFD
SCHEMBL8364289 0.85 RAB9A (0.49) MEN1KMT2AAKR1C3HTR6MAPT
SCHEMBL7316591 0.81 AKR1C3 (0.58) MEN1KMT2AAKR1C3ALDH1A1SMN1; SMN2
SCHEMBL7323404 0.81 AKR1C3 (0.58) MEN1KMT2AAKR1C3ALDH1A1SMN1; SMN2
SCHEMBL8364333 0.80 AKR1C3 (0.53) MEN1KMT2AAKR1C3ALDH1A1SMN1; SMN2
SCHEMBL8366229 0.80 AKR1C3 (0.53) MEN1KMT2AAKR1C3ALDH1A1SMN1; SMN2
SCHEMBL8367782 0.80 SMN1; SMN2 (0.75) MEN1KMT2AAKR1C3HTTALDH1A1
SCHEMBL27982973 0.79 TPSAB1 (0.58) MEN1KMT2AHTR6CYP19A1GGPS1

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-5741819-A THROMBOSIS INHIBITORS; ANTIINFLAMMATORY AGENTS; NEURODEGENERATIVE DISORDERS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-04-21 US disclosed