SCHEMBL5283211

SCHEMBL5283211

CCCCCCn1nnc(F)c1CCC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.44
HCAR3 P49019 1/20 0.35
TOP2A P11388 1/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
GRM2 Q14416 1/20 0.33
SMPD1 P17405 5/20 0.31

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
SCHEMBL5288208 0.93 SLC9A1 (0.44) SLC9A1HCAR3TOP2AMAPTALDH1A1
SCHEMBL5281499 0.93 SLC9A1 (0.41) SLC9A1HCAR3TOP2AALDH1A1GRM2
SCHEMBL5278987 0.88 SLC9A1 (0.45) SLC9A1HCAR3TOP2AMAPTALDH1A1
SCHEMBL5281373 0.86 SLC9A1 (0.41) SLC9A1HCAR3TOP2AALDH1A1GRM2
SCHEMBL5280812 0.85 SLC9A1 (0.38) SLC9A1HCAR3TOP2AALDH1A1GRM2
SCHEMBL5275270 0.82 SLC9A1 (0.36) SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5275351 0.82 SLC9A1 (0.41) SLC9A1HCAR3TOP2AMAPTALDH1A1
SCHEMBL5277299 0.82 SLC9A1 (0.41) SLC9A1HCAR3TOP2AMAPTALDH1A1
SCHEMBL5282492 0.81 SLC9A1 (0.45) SLC9A1HCAR3MAPTALDH1A1LMNA
SCHEMBL5279279 0.81 SLC9A1 (0.45) SLC9A1HCAR3MAPTALDH1A1LMNA

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