SCHEMBL5282440

SCHEMBL5282440

CCCCn1nnc(C)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.43
GRM2 Q14416 1/20 0.39
TSHR P16473 1/20 0.38
TOP2A P11388 1/20 0.37
KMT2A Q03164 2/20 0.36
HCAR3 P49019 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
NR1H3 Q13133 1/20 0.33
POLB P06746 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
HTT P42858 1/20 0.32
HSD11B1 P28845 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
SCHEMBL5278509 0.92 SLC9A1 (0.46) SLC9A1GRM2TOP2AHCAR3ALDH1A1
SCHEMBL5275003 0.88 CYP1A2 (0.43) SLC9A1GRM2TOP2AKMT2AHCAR3
SCHEMBL5276096 0.82 SLC9A1 (0.44) SLC9A1GRM2TSHRTOP2AKMT2A
SCHEMBL5277654 0.79 SLC9A1 (0.46) SLC9A1GRM2TSHRTOP2AKMT2A
SCHEMBL5280866 0.79
SCHEMBL5278235 0.78 SLC9A1 (0.42) SLC9A1GRM2TSHRTOP2AKMT2A
SCHEMBL5283304 0.78 GRM2 (0.45) SLC9A1GRM2TSHRTOP2AKMT2A
SCHEMBL5284094 0.78 SLC9A1 (0.42) SLC9A1GRM2TOP2AKMT2AHCAR3
SCHEMBL5277642 0.77 SLC9A1 (0.41) SLC9A1GRM2TOP2AKMT2AHCAR3
SCHEMBL5272914 0.77 SLC9A1 (0.41) SLC9A1GRM2TOP2AKMT2AHCAR3

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