SCHEMBL11534686

SCHEMBL11534686

COCn1cnc(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2B P29275 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL31332874 0.76 MEN1 (0.33) MEN1KMT2A
SCHEMBL31332871 0.76 MEN1 (0.33) FDPSMEN1KMT2A
SCHEMBL13722210 0.74 DGAT1 (0.40) FDPS
SCHEMBL9810639 0.73
SCHEMBL20011271 0.71 FDPS (0.44) FDPSKMT2AADORA2BALDH1A1
SCHEMBL31332883 0.70 ALDH1A1 (0.43) KMT2AALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL19611492 0.70 FDPS (0.47) FDPSADORA2BALDH1A1CYP1A2CYP2D6
SCHEMBL16479467 0.70 FDPS (0.43) FDPSALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL20011449 0.70 POLB (0.50) FDPSMEN1KMT2AALDH1A1CYP1A2
SCHEMBL19848132 0.69 MEN1 (0.46) MEN1KMT2AALDH1A1

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-4152441-A Analgesic imidazolemethanols GIST-BROCADES N.V. (NL) 1979-05-01 US disclosed