SCHEMBL8516967

SCHEMBL8516967

COc1cc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)ccc1O.NNCCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM1A O60341 3/20 0.46
MAOA P21397 2/20 0.46
ALOX12 P18054 1/20 0.45
MAPT P10636 1/20 0.42
AKR1C3 P42330 1/20 0.42
EGFR P00533 2/20 0.42
FGFR1 P11362 2/20 0.42
KDR P35968 2/20 0.42

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
SCHEMBL8366113 0.86 MEN1 (0.60) MEN1KMT2AKDM1AMAOAMAPT
SCHEMBL8366277 0.80 MEN1 (0.49) MEN1KMT2AKDM1AMAOAMAPT
SCHEMBL7323404 0.78 AKR1C3 (0.58) MEN1KMT2AKDM1AMAOAAKR1C3
SCHEMBL7316591 0.78 AKR1C3 (0.58) MEN1KMT2AKDM1AMAOAAKR1C3
SCHEMBL7322835 0.77 MEN1 (0.58) MEN1KMT2AMAPTAKR1C3
SCHEMBL8364333 0.75 AKR1C3 (0.53) MEN1KMT2AKDM1AMAOAAKR1C3
SCHEMBL8366229 0.75 AKR1C3 (0.53) MEN1KMT2AKDM1AMAOAAKR1C3
SCHEMBL8364289 0.75 RAB9A (0.49) MEN1KMT2AKDM1AMAOAMAPT
SCHEMBL8697170 0.74 MEN1 (0.56) MEN1KMT2AMAPTAKR1C3
SCHEMBL8366252 0.74 AKR1C3 (0.52) MEN1KMT2AKDM1AMAOAAKR1C3

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 3 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 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