SCHEMBL7677465

SCHEMBL7677465

Cc1c(OCCSCc2ccccn2)ccnc1CNc1cnc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
GFER P55789 1/20 0.39
DHFR P00374 1/20 0.38
ALOX12 P18054 2/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7678782 0.95 HTT (0.39) HTTKDM4EALDH1A1HPGDLMNA
SCHEMBL7672308 0.87 FLT1 (0.42) HTTKDM4EALDH1A1HPGDLMNA
SCHEMBL7675316 0.86 ALDH1A1 (0.40) HTTKDM4EALDH1A1HPGDLMNA
SCHEMBL7671668 0.83 FLT1 (0.42) HTTKDM4EALDH1A1HPGDLMNA
SCHEMBL7675999 0.83 MEN1 (0.40) HTTKDM4EALDH1A1HPGDLMNA
SCHEMBL7677850 0.82 FLT1 (0.40) HTTKDM4EALDH1A1HPGDLMNA
SCHEMBL7678522 0.82 FLT1 (0.41) HTTKDM4EALDH1A1HPGDLMNA
SCHEMBL7676830 0.81 KMT2A (0.44) HTTKDM4EALDH1A1HPGDLMNA
SCHEMBL7675280 0.81 ALDH1A1 (0.38) HTTKDM4EALDH1A1HPGDLMNA
SCHEMBL7676111 0.81 KDM4E (0.44) HTTKDM4EALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479514-B1 FOR THE CONTROL OF HELICOBACTER BACTERIA IN INFECTED PATIENTS ALTANA PHARMA AG (DE) 2002-11-12 US claimed
EP-1086094-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-03-28 EP claimed
WO-1999061438-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO claimed
US-6479514-B1 FOR THE CONTROL OF HELICOBACTER BACTERIA IN INFECTED PATIENTS ALTANA PHARMA AG (DE) 2002-11-12 US disclosed
EP-1086094-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-03-28 EP disclosed
WO-1999061438-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO disclosed