SCHEMBL7670964

SCHEMBL7670964

Cc1c(SCCCCl)ccnc1CNc1cnc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 4/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 3/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
GFER P55789 1/20 0.44
DHFR P00374 1/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
Hydrochloric Acid SCHEMBL7672407 0.99 MEN1 (0.44) MEN1KMT2AKDM4ERAB9AALDH1A1
SCHEMBL7671243 0.97 MEN1 (0.44) MEN1KMT2AKDM4ERAB9AALDH1A1
SCHEMBL7679446 0.95 MEN1 (0.46) MEN1KMT2AKDM4ERAB9AALDH1A1
Hydrochloric Acid SCHEMBL7677732 0.94 MEN1 (0.45) MEN1KMT2AKDM4ERAB9AALDH1A1
SCHEMBL7675359 0.90 MEN1 (0.43) MEN1KMT2AKDM4ERAB9AALDH1A1
SCHEMBL7678998 0.90 MEN1 (0.43) MEN1KMT2AKDM4ERAB9AALDH1A1
SCHEMBL7675307 0.85 FLT1 (0.42) MEN1KMT2AKDM4ERAB9AALDH1A1
SCHEMBL7675572 0.85 FLT1 (0.42) MEN1KMT2AKDM4ERAB9AALDH1A1
SCHEMBL7675999 0.85 MEN1 (0.40) MEN1KMT2AKDM4ERAB9AALDH1A1
SCHEMBL7672106 0.83 DRD2 (0.39) MEN1KMT2AKDM4ERAB9AALDH1A1

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