SCHEMBL7849798

SCHEMBL7849798

O=C(O)c1c(NC2CCCCO2)sc2c1C1CCN2CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.37
NOD1 Q9Y239 1/20 0.31

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
SCHEMBL7029267 0.77 KMT2A (0.33) KMT2AMEN1POLBNOD1
SCHEMBL6316048 0.75 KDM4E (0.46) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL6432360 0.73 KMT2A (0.32) KMT2APOLBNOD1
SCHEMBL7693899 0.73 PTPN1 (0.53) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL6399832 0.72 PTPN1 (0.39) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL7562771 0.72 PTPN1 (0.35) KMT2APOLBNOD1
SCHEMBL7855098 0.71 PTPN2 (0.58) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL7251719 0.71
SCHEMBL7854135 0.70 PTPN1 (0.58) KMT2APOLBNOD1
SCHEMBL7536578 0.70 PTPN1 (0.38)

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
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed