SCHEMBL7669698

SCHEMBL7669698

Cc1c(SCCSCc2ccncc2)ccnc1CNc1cnc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 6/20 0.43
KDR P35968 6/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 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
GFER P55789 1/20 0.40
DHFR P00374 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL7675572 0.95 FLT1 (0.42) FLT1KDRMEN1KMT2AALDH1A1
SCHEMBL7675307 0.95 FLT1 (0.42) FLT1KDRMEN1KMT2AALDH1A1
SCHEMBL7677475 0.91 MEN1 (0.40) FLT1KDRMEN1KMT2AALDH1A1
SCHEMBL7672308 0.84 FLT1 (0.42) FLT1KDRMEN1KMT2AALDH1A1
SCHEMBL7671668 0.84 FLT1 (0.42) FLT1KDRMEN1KMT2AALDH1A1
SCHEMBL7679446 0.83 MEN1 (0.46) FLT1KDRMEN1KMT2AALDH1A1
SCHEMBL7678522 0.83 FLT1 (0.41) FLT1KDRMEN1KMT2AALDH1A1
SCHEMBL7670964 0.82 MEN1 (0.45) FLT1KDRMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7677732 0.82 MEN1 (0.45) FLT1KDRMEN1KMT2AALDH1A1
SCHEMBL7675999 0.82 MEN1 (0.40) FLT1KDRMEN1KMT2AALDH1A1

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