SCHEMBL5280188

SCHEMBL5280188

CCCCn1nnc(C(F)(F)F)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.40
GRM2 Q14416 1/20 0.36
TOP2A P11388 1/20 0.35
NR1H3 Q13133 1/20 0.34
HTT P42858 3/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.34
HCAR3 P49019 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD11B1 P28845 1/20 0.30
GABRB3 P28472 2/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 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
SCHEMBL5275125 0.93 SLC9A1 (0.43) SLC9A1GRM2HTTLMNAHCAR3
SCHEMBL5281881 0.89 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3KMT2A
SCHEMBL5276723 0.86 SLC9A1 (0.38) SLC9A1GRM2TOP2ANR1H3TSHR
SCHEMBL5278016 0.84 SLC9A1 (0.41) SLC9A1GRM2TOP2ANR1H3HTT
SCHEMBL5280615 0.82 SLC9A1 (0.40) SLC9A1GRM2TOP2ANR1H3HTT
SCHEMBL5279740 0.82 SLC9A1 (0.40) SLC9A1GRM2TOP2ANR1H3HTT
SCHEMBL5273577 0.82 SLC9A1 (0.40) SLC9A1GRM2TOP2ANR1H3HTT
SCHEMBL5278258 0.81 MAOA (0.35) SLC9A1GRM2KDM4EGABRB3ALDH1A1
SCHEMBL5278901 0.81 SLC9A1 (0.39) SLC9A1GRM2TOP2ANR1H3HTT
SCHEMBL5281116 0.81 SLC9A1 (0.39) SLC9A1GRM2TOP2ANR1H3HTT

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