SCHEMBL8366277

SCHEMBL8366277

NCCCCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1.NCc1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM1A O60341 2/20 0.49
MAOA P21397 1/20 0.49
HTR6 P50406 2/20 0.49
AKR1C3 P42330 1/20 0.48
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TPSAB1 Q15661 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR27 Q9NS67 1/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
CFD P00746 1/20 0.44
GHSR Q92847 1/20 0.44
SLC16A3 O15427 1/20 0.43

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
SCHEMBL8364289 0.94 RAB9A (0.49) MEN1KMT2AKDM1AMAOAHTR6
SCHEMBL8697170 0.90 MEN1 (0.56) MEN1KMT2AHTR6AKR1C3MAPT
SCHEMBL8366229 0.88 AKR1C3 (0.53) MEN1KMT2AKDM1AMAOAAKR1C3
SCHEMBL8364333 0.88 AKR1C3 (0.53) MEN1KMT2AKDM1AMAOAAKR1C3
SCHEMBL7322835 0.86 MEN1 (0.58) MEN1KMT2AAKR1C3MAPTHTT
Hydrochloric Acid SCHEMBL8368784 0.85 HTR6 (0.65) MEN1KMT2AKDM1AMAOAHTR6
SCHEMBL8367822 0.84 KDM1A (0.60) MEN1KMT2AKDM1AMAOAHTR6
SCHEMBL7323404 0.83 AKR1C3 (0.58) MEN1KMT2AKDM1AMAOAAKR1C3
SCHEMBL7316591 0.83 AKR1C3 (0.58) MEN1KMT2AKDM1AMAOAAKR1C3
SCHEMBL8516967 0.80 MEN1 (0.50) 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 4 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
US-5741819-A THROMBOSIS INHIBITORS; ANTIINFLAMMATORY AGENTS; NEURODEGENERATIVE DISORDERS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-04-21 US disclosed