SCHEMBL8564929

SCHEMBL8564929

CCCCCCC(OC1CCCCO1)c1ccc(-c2ncccn2)cc1O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 3/20 0.31
CNR2 P34972 3/20 0.31
KDM4C Q9H3R0 1/20 0.31
SPHK2 Q9NRA0 2/20 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
SCHEMBL8602509 0.84
SCHEMBL8668775 0.78 MEN1 (0.34) MEN1KMT2AKDM4CSPHK2
SCHEMBL8671571 0.70 MEN1 (0.31) MEN1KMT2A
SCHEMBL9424628 0.69 MEN1 (0.33) MEN1KMT2AKDM4C
SCHEMBL15501087 0.69
SCHEMBL15501086 0.69
SCHEMBL9349040 0.69 ALDH1A1 (0.36) MEN1KMT2ASPHK2
SCHEMBL30028753 0.69 ALDH1A1 (0.36) MEN1KMT2ASPHK2
SCHEMBL31190500 0.69 ALDH1A1 (0.36) MEN1KMT2ASPHK2
SCHEMBL8496317 0.69 ALDH1A1 (0.36) MEN1KMT2ASPHK2

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
US-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed