SCHEMBL4617653

SCHEMBL4617653

C=CCCCCCCc1c[nH]nn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.33
GPR35 Q9HC97 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC4 P56524 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
XDH P47989 1/20 0.30
LPAR3 Q9UBY5 2/20 0.30
CYP3A4 P08684 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30

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
SCHEMBL4618361 1.00 TDP1 (0.40) TDP1LMNAALDH1A1USP2HPGD
SCHEMBL9634220 0.78 EPHX2 (0.41)
SCHEMBL4934846 0.77
SCHEMBL4618956 0.77 CYP3A4 (0.30) CYP3A4
SCHEMBL4619791 0.77 CYP3A4 (0.30) CYP3A4
SCHEMBL3823108 0.76 CA12 (0.31)
SCHEMBL16196855 0.76 KCNH2 (0.47) LMNAALDH1A1HPGDCYP3A4
SCHEMBL9082457 0.75
SCHEMBL268961 0.75
SCHEMBL4617160 0.74

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
WO-2008029278-A2 CONJUGATES OF ANTITHROMBIN BINDING OLIGOSACCHARIDE DERIVATIVES AND THERAPEUTIC PROTEINS ENDOTIS PHARMA S.A. (FR) 2008-03-13 WO claimed
EP-1886696-A1 Conjugates of antithrombin binding oligosaccharide derivatives and therapeutic proteins Endotis Pharma (FR) 2008-02-13 EP claimed
WO-2008029278-A2 CONJUGATES OF ANTITHROMBIN BINDING OLIGOSACCHARIDE DERIVATIVES AND THERAPEUTIC PROTEINS ENDOTIS PHARMA S.A. (FR) 2008-03-13 WO disclosed
EP-1886696-A1 Conjugates of antithrombin binding oligosaccharide derivatives and therapeutic proteins Endotis Pharma (FR) 2008-02-13 EP disclosed