SCHEMBL5282045

SCHEMBL5282045

CCCCCCn1nnc(C(F)(F)F)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCAR3 P49019 1/20 0.32
SMPD1 P17405 4/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
CYP19A1 P11511 3/20 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
SCHEMBL5275219 0.94 SLC9A1 (0.36) SLC9A1LMNAHTTHCAR3
SCHEMBL5273631 0.89 SLC9A1 (0.38) SLC9A1HCAR3
SCHEMBL5278652 0.88 SLC9A1 (0.33) SLC9A1LMNA
SCHEMBL5283287 0.87 SLC9A1 (0.40) SLC9A1MAPTLMNAHCAR3SMPD1
SCHEMBL5278728 0.85 SLC9A1 (0.39) SLC9A1MAPTKDM4ESMN1; SMN2HCAR3
SCHEMBL5275053 0.83 SLC9A1 (0.38) SLC9A1HCAR3CYP19A1
SCHEMBL5275420 0.82 SLC9A1 (0.35) SLC9A1
SCHEMBL5273833 0.81 SLC9A1 (0.30) SLC9A1
SCHEMBL5274641 0.80 SLC9A1 (0.37) SLC9A1HCAR3
SCHEMBL5276366 0.80 SLC9A1 (0.42) SLC9A1MAPTLMNAHCAR3SMPD1

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