SCHEMBL5281853

SCHEMBL5281853

CCCCCCn1nnc(C(F)(F)F)c1Br

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.42
GRM2 Q14416 1/20 0.37
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCAR3 P49019 1/20 0.33
SMPD1 P17405 4/20 0.33
TOP2A P11388 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL5276023 0.93 GRM2 (0.42) SLC9A1GRM2MAPTLMNAKDM4E
SCHEMBL5281866 0.88 SLC9A1 (0.40) SLC9A1GRM2MAPTLMNAHCAR3
SCHEMBL5276317 0.86 GRM2 (0.39) SLC9A1GRM2TOP2AALDH1A1
SCHEMBL5283149 0.85 SLC9A1 (0.43) SLC9A1GRM2MAPTLMNAHCAR3
SCHEMBL5280710 0.85 SLC9A1 (0.43) SLC9A1GRM2MAPTLMNAHCAR3
SCHEMBL5275125 0.82 SLC9A1 (0.43) SLC9A1GRM2MAPTLMNAKDM4E
SCHEMBL5281402 0.82 SLC9A1 (0.43) SLC9A1GRM2MAPTLMNAKDM4E
SCHEMBL5274658 0.82 SLC9A1 (0.43) SLC9A1GRM2MAPTLMNAKDM4E
SCHEMBL5280852 0.81 SLC9A1 (0.40) SLC9A1GRM2MAPTLMNAHCAR3
SCHEMBL5280496 0.81 SLC9A1 (0.47) SLC9A1GRM2MAPTLMNAHCAR3

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
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed