SCHEMBL8366252

SCHEMBL8366252

N=C(N)NCCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.50
KDM1A O60341 2/20 0.48
MAOA P21397 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
ST14 Q9Y5Y6 1/20 0.48
F2 P00734 2/20 0.48
GPR27 Q9NS67 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
F10 P00742 1/20 0.47
KAT6A Q92794 2/20 0.47
PFKFB3 Q16875 1/20 0.46
AR P10275 1/20 0.46

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
SCHEMBL7323404 0.92 AKR1C3 (0.58) AKR1C3MEN1KMT2ALMNAKDM1A
SCHEMBL7316591 0.92 AKR1C3 (0.58) AKR1C3MEN1KMT2ALMNAKDM1A
SCHEMBL8366229 0.89 AKR1C3 (0.53) AKR1C3MEN1KMT2ALMNAKDM1A
SCHEMBL8364333 0.89 AKR1C3 (0.53) AKR1C3MEN1KMT2ALMNAKDM1A
SCHEMBL7320733 0.83 DRD3 (0.61)
SCHEMBL7322835 0.80 MEN1 (0.58) AKR1C3MEN1KMT2ALMNAF2
SCHEMBL8366277 0.79 MEN1 (0.49) AKR1C3MEN1KMT2AKDM1AMAOA
SCHEMBL27702845 0.79 KDM1A (0.65) AKR1C3MEN1KMT2ALMNAKDM1A
SCHEMBL8697170 0.78 MEN1 (0.56) AKR1C3MEN1KMT2ALMNAF2
SCHEMBL8367822 0.77 KDM1A (0.60) MEN1KMT2ALMNAKDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831800-A4 ARYLSULFONYLAMINOBENZENE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS DIMENSIONAL PHARM INC (US) 1999-03-10 EP claimed
EP-0831800-A1 ARYLSULFONYLAMINOBENZENE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-04-01 EP claimed
WO-1996040100-A1 ARYLSULFONYLAMINOBENZENE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1996-12-19 WO claimed
EP-0831800-A4 ARYLSULFONYLAMINOBENZENE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS DIMENSIONAL PHARM INC (US) 1999-03-10 EP disclosed
EP-0831800-A1 ARYLSULFONYLAMINOBENZENE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-04-01 EP disclosed
WO-1996040100-A1 ARYLSULFONYLAMINOBENZENE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed