SCHEMBL5278352

SCHEMBL5278352

CCCCCCn1nnc(C(F)(F)F)c1C(Cl)(Cl)C(Cl)(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCAR3 P49019 1/20 0.31
SMPD1 P17405 4/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL5280402 0.94 SLC9A1 (0.36) SLC9A1LMNAHTTHCAR3
SCHEMBL5278425 0.90 SLC9A1 (0.41) SLC9A1LMNAMAPTALDH1A1HCAR3
SCHEMBL5277940 0.89 SLC9A1 (0.37) SLC9A1LMNAALDH1A1
SCHEMBL5276110 0.89 SLC9A1 (0.38) SLC9A1MAPTGABRA2GABRB2HCAR3
SCHEMBL5275517 0.88 SLC9A1 (0.40) SLC9A1LMNAMAPTALDH1A1HCAR3
SCHEMBL5284435 0.88 SLC9A1 (0.33) SLC9A1
SCHEMBL5276108 0.87 SLC9A1 (0.39) SLC9A1LMNAMAPTALDH1A1HCAR3
SCHEMBL5274658 0.86 SLC9A1 (0.43) SLC9A1LMNAMAPTGABRA2GABRB2
SCHEMBL5277091 0.84 SLC9A1 (0.41) SLC9A1LMNAMAPTKDM4EHTT
SCHEMBL5282662 0.83 SLC9A1 (0.37) SLC9A1

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