SCHEMBL7675280

SCHEMBL7675280

Cc1c(OCCOCCSCc2cccnc2)ccnc1CNc1cnc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 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
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
GFER P55789 1/20 0.36
DHFR P00374 1/20 0.35
ALOX15 P16050 3/20 0.35

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
SCHEMBL7675316 0.95 ALDH1A1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7677850 0.92 FLT1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7678782 0.87 HTT (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7672308 0.86 FLT1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7671668 0.84 FLT1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7678522 0.83 FLT1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7677475 0.82 MEN1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7677465 0.81 HTT (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7676107 0.81 KDM4E (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7676111 0.77 KDM4E (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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