SCHEMBL8546113

SCHEMBL8546113

CCCCCCCN(C(=O)O)c1ccc2c(ccn2NCCCc2ccncc2F)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.34
KDM4C Q9H3R0 3/20 0.33
S1PR1 P21453 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
ICMT O60725 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
PAX8 Q06710 2/20 0.31
JAK2 O60674 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
GPX4 P36969 1/20 0.31
KDM6B O15054 1/20 0.31
OXER1 Q8TDS5 1/20 0.31
PLA2G4A P47712 3/20 0.31
TRPV1 Q8NER1 4/20 0.30

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 SCHEMBL8541330 0.99 BCHE (0.34) BCHEKDM4CS1PR1PTGDR2ICMT
SCHEMBL8544202 0.97 BCHE (0.36) BCHEKDM4CS1PR1PTGDR2KDM6B
Hydrochloric Acid SCHEMBL8543739 0.97 BCHE (0.35) BCHEKDM4CS1PR1KDM6B
SCHEMBL8539192 0.86 ORAI1 (0.33) BCHEKDM4C
SCHEMBL8544184 0.85 BCHE (0.43) BCHEKDM4CPTGDR2ICMTNPC1
SCHEMBL8543079 0.82 BCHE (0.45) BCHEKDM4CPTGDR2ICMTKDM6B
SCHEMBL9738702 0.80 BCHE (0.48) BCHE
Hydrochloric Acid SCHEMBL9671922 0.79 BCHE (0.47) BCHE
SCHEMBL9738844 0.78 BCHE (0.51) BCHE
Hydrochloric Acid SCHEMBL9671993 0.77 BCHE (0.50) BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468401-B1 1-(Substituted pyridinylamino)-1H-indol-5-yl substituted carbamates, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-09-16 EP disclosed
EP-0468401-A2 1-(Substituted pyridinylamino)-1H-indol-5-yl substituted carbamates, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-01-29 EP disclosed