SCHEMBL14259846

SCHEMBL14259846

CN1CCN(c2ccc3c(NCCN4CCCCC4)nc(-c4ccccc4)nc3c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 7/20 0.68
▸ ACP1 P24666 3/20 0.63
▸ AURKA O14965 3/20 0.59
▸ AURKB Q96GD4 2/20 0.59
▸ USP2 O75604 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ ALOX15 P16050 3/20 0.52
▸ GBA1 P04062 1/20 0.52
▸ TSHR P16473 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CLK4 Q9HAZ1 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49

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
SCHEMBL13312480 0.90 TLR9 (0.84) TLR9ACP1USP2HSD17B10ALOX15
SCHEMBL1085411 0.83 ACP1 (0.87) TLR9ACP1USP2HSD17B10ALOX15
SCHEMBL14259847 0.83 ACP1 (0.69) TLR9ACP1USP2HSD17B10ALOX15
SCHEMBL1085090 0.82 ACP1 (0.84) TLR9ACP1USP2HSD17B10ALOX15
SCHEMBL14095300 0.81 TLR9 (1.00) TLR9ACP1USP2HSD17B10ALOX15
SCHEMBL14259833 0.77 ACP1 (0.70) ACP1
SCHEMBL31453017 0.77 TLR9 (0.72) TLR9ACP1USP2HSD17B10ALOX15
SCHEMBL3460750 0.76 ACP1 (0.74) TLR9ACP1USP2HSD17B10ALOX15
SCHEMBL1084058 0.76 CYP1A2 (0.65) TLR9ACP1USP2HSD17B10ALOX15
SCHEMBL14095324 0.75 TLR9 (1.00) TLR9ACP1USP2HSD17B10ALOX15

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
WO-2008030455-A2 SMALL MOLECULE INHIBITORS OF TOLL-LIKE RECEPTOR 9 COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-03-13 — — WO disclosed
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