SCHEMBL7678522

SCHEMBL7678522

Cc1c(OCCCCSCc2ccncc2)ccnc1CNc1cnc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 6/20 0.41
KDR P35968 6/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
GFER P55789 1/20 0.38
DHFR P00374 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL7671668 0.97 FLT1 (0.42) FLT1KDRALDH1A1KDM4EHPGD
SCHEMBL7672308 0.95 FLT1 (0.42) FLT1KDRALDH1A1KDM4EHPGD
SCHEMBL7677850 0.91 FLT1 (0.40) FLT1KDRALDH1A1KDM4EHPGD
SCHEMBL7675307 0.87 FLT1 (0.42) FLT1KDRALDH1A1KDM4EHPGD
SCHEMBL7676111 0.86 KDM4E (0.44) FLT1KDRALDH1A1KDM4EHPGD
SCHEMBL7675316 0.86 ALDH1A1 (0.40) FLT1KDRALDH1A1KDM4EHPGD
SCHEMBL7675572 0.85 FLT1 (0.42) FLT1KDRALDH1A1KDM4EHPGD
SCHEMBL7676830 0.84 KMT2A (0.44) ALDH1A1KDM4EHPGDHTTNPC1
SCHEMBL7675280 0.83 ALDH1A1 (0.38) FLT1KDRALDH1A1KDM4EHPGD
SCHEMBL7669698 0.83 FLT1 (0.43) FLT1KDRALDH1A1KDM4EHPGD

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 3 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 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