SCHEMBL19366232

SCHEMBL19366232

C[C@H]1[C@H](c2ccccc2)[C@H]1c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.50
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 3/20 0.38
KDM1B Q8NB78 1/20 0.38
EEF2K O00418 1/20 0.35
IDO1 P14902 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP11B2 P19099 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
ACHE P22303 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL30504112 0.80 MAOA (0.41) HDAC4MEN1KMT2AKDM1AMAOA
SCHEMBL19366234 0.78 SLC6A2 (0.39) HDAC4MEN1KMT2AKDM1AMAOA
SCHEMBL19366426 0.76 CHRNB2 (0.42) HDAC4
SCHEMBL30312066 0.75 MAOA (0.41) HDAC4MEN1KMT2AKDM1AMAOA
SCHEMBL30312236 0.75 MAOA (0.41) HDAC4MEN1KMT2AKDM1AMAOA
SCHEMBL30311870 0.75 MAOA (0.41) HDAC4MEN1KMT2AKDM1AMAOA
SCHEMBL19366430 0.74 HDAC4 (0.60) HDAC4MEN1KMT2AKDM1AKDM1B
SCHEMBL8435497 0.70 MAOA (0.41) HDAC4MEN1KMT2AKDM1AMAOA
SCHEMBL21208288 0.68 MAOA (0.35) HDAC4MEN1KMT2AMAOAMAOB
SCHEMBL12498302 0.67 HDAC4 (1.00) HDAC4

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-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed