SCHEMBL27366272

SCHEMBL27366272

OCCCCCCCCCCCN1C=CC=CC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
RGS12 O14924 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PABPC1 P11940 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11787818 0.98 KDM4E (0.32) KDM4EMEN1RGS12NPC1ALDH1A1
Hydrochloric Acid SCHEMBL29137539 0.96 KDM4E (0.32) KDM4EMEN1RGS12NPC1ALDH1A1
SCHEMBL15328974 0.92
Bromide SCHEMBL31536069 0.85
SCHEMBL1996789 0.83
SCHEMBL11826661 0.82 CA12 (0.33) LMNA
Hydrochloric Acid SCHEMBL28527482 0.81
Iodide SCHEMBL28635450 0.81
Bromide SCHEMBL27950999 0.81
SCHEMBL10456038 0.80 PTGS1 (0.34) KDM4ENPC1ALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1065861-A ANTIMICROBIAL POLYMERIC QUATERNARY AMMONIUM SALTS ROHM & HAAS (US) 1992-11-04 CN disclosed