SCHEMBL6187482

SCHEMBL6187482

Cc1[nH]c(C(=O)O)nc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
PIN1 Q13526 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PTPRB P23467 1/20 0.37
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL27876943 0.77 LMNA (0.45) LMNAPIN1KDM4EALDH1A1HPGD
SCHEMBL3318225 0.77 LMNA (0.45) LMNAPIN1KDM4EALDH1A1HPGD
SCHEMBL27882640 0.76 PIN1 (0.52) LMNAPIN1KDM4EALDH1A1HPGD
SCHEMBL2822546 0.74 KDM4E (0.50) LMNAPIN1KDM4EALDH1A1HPGD
SCHEMBL2822503 0.74 LMNA (0.42) LMNAPIN1KDM4EALDH1A1HPGD
SCHEMBL3859592 0.74 LMNA (0.42) LMNAPIN1KDM4EALDH1A1HPGD
SCHEMBL1762155 0.71 LMNA (0.39) LMNAPIN1KDM4EALDH1A1HPGD
SCHEMBL2522319 0.71 LMNA (0.39) LMNAPIN1KDM4EALDH1A1HPGD
SCHEMBL8593652 0.70 KDM4E (0.42) LMNAPIN1KDM4EALDH1A1HPGD
SCHEMBL2825421 0.69 NOTUM (0.41) LMNAPIN1KDM4EALDH1A1HPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003072058-A2 DNA-BINDING POLYAMIDE DRUG CONJUGATES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTATED BY THE SECRETARY, DEPARMENT OF HEALTH AND HUMAN SERVICES (US) 2003-09-04 WO claimed
EP-1401817-A4 ISOQUINOLINE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS INC (US) 2005-11-02 EP disclosed
EP-1470119-A4 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS INC (US) 2005-10-19 EP disclosed
WO-2005032594-A2 ALKYLATORS LINKED TO POLYAMIDES AS DNA BINDING AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-04-14 WO disclosed
EP-1470119-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY Genesoft, Inc. (US) 2004-10-27 EP disclosed
EP-1401817-A1 ISOQUINOLINE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY Genesoft Pharmaceuticals, Inc. (US) 2004-03-31 EP disclosed
WO-2002101073-A2 ARYL-BENZIMIDAZOLE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
WO-2002101007-A2 ANTIPATHOGENIC BENZAMIDE COMPOUNDS GENESOFT PHARMACEUTICALS, INC (US) 2002-12-19 WO disclosed
WO-2002100832-A1 ISOQUINOLINE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
WO-2002100852-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
WO-2002088119-A1 HALOGEN-SUBSTITUTED THIENYL COMPOUNDS GENESOFT PHARMACEUTICALS, INC (US) 2002-11-07 WO disclosed