SCHEMBL7322835

SCHEMBL7322835

O=C(NCc1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)c1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ AKR1C3 P42330 1/20 0.57
▸ CYP19A1 P11511 1/20 0.56
▸ MAPT P10636 2/20 0.55
▸ GGPS1 O95749 1/20 0.54
▸ HTT P42858 3/20 0.54
▸ F2 P00734 1/20 0.53
▸ F10 P00742 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ SLC16A3 O15427 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ GPR27 Q9NS67 1/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ POLB P06746 1/20 0.51

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
SCHEMBL8697170 0.95 MEN1 (0.56) MEN1KMT2AAKR1C3CYP19A1MAPT
SCHEMBL8366277 0.86 MEN1 (0.49) MEN1KMT2AAKR1C3MAPTHTT
SCHEMBL7316591 0.85 AKR1C3 (0.58) MEN1KMT2AAKR1C3ALDH1A1SMN1; SMN2
SCHEMBL7323404 0.85 AKR1C3 (0.58) MEN1KMT2AAKR1C3ALDH1A1SMN1; SMN2
SCHEMBL8367782 0.84 SMN1; SMN2 (0.75) MEN1KMT2AAKR1C3HTTALDH1A1
SCHEMBL8366886 0.82 LMNA (0.51) MEN1KMT2AAKR1C3MAPTALDH1A1
SCHEMBL14485676 0.81 HTT (0.70) MEN1KMT2AAKR1C3MAPTHTT
SCHEMBL7791335 0.81 AKR1C3 (0.54) MEN1KMT2AAKR1C3MAPTGGPS1
SCHEMBL7791333 0.81 AKR1C3 (0.54) MEN1KMT2AAKR1C3MAPTGGPS1
SCHEMBL27702845 0.81 KDM1A (0.65) MEN1KMT2AAKR1C3MAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5612378-A TREATING THROMBOSIS, ISCHEMIA, STROKE, RESTENOSIS OR INFLAMMATION 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-03-18 — — US disclosed
WO-1996039380-A1 BIS-ARYLSULFONYLAMINOBENZAMIDE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1996-12-12 — — WO disclosed
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