SCHEMBL8366113

SCHEMBL8366113

COc1cc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
KDM1A O60341 2/20 0.52
MAOA P21397 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 2/20 0.50
TRPV1 Q8NER1 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
EGFR P00533 1/20 0.49
FGFR1 P11362 1/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL8516967 0.86 MEN1 (0.50) MEN1KMT2AKDM1AMAOAMAPT
SCHEMBL8366885 0.83 OPRM1 (0.51) MEN1KMT2AKDM1AMAOAEGFR
SCHEMBL5681720 0.82 ERCC1 (0.69) TRPV1SMN1; SMN2
SCHEMBL8699498 0.82 KDM1A (0.63) MEN1KMT2AKDM1AMAOARAB9A
SCHEMBL26625687 0.79 MMP13 (0.56) RAB9ATRPV1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8368784 0.78 HTR6 (0.65) MEN1KMT2AKDM1AMAOARAB9A
SCHEMBL8368843 0.78 MEN1 (0.55) MEN1KMT2AKDM1AMAOARAB9A
SCHEMBL5065598 0.78 NR1H4 (0.64) SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL16430155 0.78 KMT2A (0.77) MEN1KMT2AKDM1AMAOARAB9A
SCHEMBL17347402 0.77 KDM1A (0.61) MEN1KMT2AKDM1AMAOAMAPT

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 8 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
US-5741819-A THROMBOSIS INHIBITORS; ANTIINFLAMMATORY AGENTS; NEURODEGENERATIVE DISORDERS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-04-21 US 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
US-5741819-A THROMBOSIS INHIBITORS; ANTIINFLAMMATORY AGENTS; NEURODEGENERATIVE DISORDERS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-04-21 US 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