SCHEMBL27906337

SCHEMBL27906337

O=C(c1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1)c1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.64
ACR P10323 2/20 0.57
ALPL P05186 10/20 0.54
CA12 O43570 4/20 0.54
RPA1 P27694 1/20 0.54
CA9 Q16790 2/20 0.50
TACR3 P29371 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL2566128 0.89 ALPL (0.69) SNCAACRALPLCA12RPA1
SCHEMBL4090739 0.83 ALPL (0.70) SNCAACRALPLCA12CA9
SCHEMBL14290127 0.79 ALPL (0.51) SNCAACRALPLCA12CA9
SCHEMBL21856003 0.78 SNCA (0.53) SNCAACRALPLCA12TACR3
SCHEMBL27887288 0.78 TP53 (0.79) ACRALPLCA12RPA1CA9
Hydrochloric Acid SCHEMBL28800536 0.76 TP53 (0.77) ACRALPLCA12RPA1CA9
SCHEMBL1924736 0.76 TP53 (0.55) SNCAACRALPLCA12RPA1
SCHEMBL2826440 0.75 SNCA (0.48) SNCAACRTACR3TP53MAPT
SCHEMBL29897026 0.75 CASP1 (0.58) SNCAACRTACR3TP53MAPT
SCHEMBL28015306 0.75 BACE1 (0.49) SNCAACRALPLCA12RPA1

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-102906093-A Novel nk-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in nk-3 receptors mediated disorders EUROSCREEN SA 2013-01-30 CN claimed