SCHEMBL14259847

SCHEMBL14259847

Brc1ccc2c(NCCN3CCCCC3)nc(-c3ccccc3)nc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 5/20 0.69
▸ MAPK1 P28482 6/20 0.53
▸ TSHR P16473 5/20 0.53
▸ ALOX15 P16050 3/20 0.53
▸ TP53 P04637 2/20 0.53
▸ USP2 O75604 6/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ LMNA P02545 3/20 0.53
▸ CYP1A2 P05177 7/20 0.52
▸ CYP3A4 P08684 7/20 0.52
▸ CYP2D6 P10635 6/20 0.52
▸ SMARCA2 P51531 1/20 0.51
▸ CYP2C19 P33261 4/20 0.51
▸ CLK4 Q9HAZ1 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HBB P68871 1/20 0.51
▸ TLR9 Q9NR96 1/20 0.50

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
SCHEMBL13312485 0.89 ACP1 (0.70) ACP1MAPK1TSHRALOX15TP53
SCHEMBL1085411 0.87 ACP1 (0.87) ACP1MAPK1TSHRALOX15TP53
SCHEMBL1085090 0.86 ACP1 (0.84) ACP1MAPK1TSHRALOX15TP53
SCHEMBL14259846 0.83 TLR9 (0.68) ACP1MAPK1TSHRALOX15TP53
SCHEMBL3460750 0.80 ACP1 (0.74) ACP1MAPK1TSHRALOX15TP53
SCHEMBL1084058 0.80 CYP1A2 (0.65) ACP1MAPK1TSHRALOX15TP53
SCHEMBL1085510 0.77 ACP1 (0.70) ACP1MAPK1TSHRALOX15TP53
SCHEMBL1085597 0.76 ACP1 (0.87) ACP1MAPK1TSHRALOX15TP53
SCHEMBL1085329 0.76 ACP1 (0.69) ACP1MAPK1TSHRALOX15TP53
SCHEMBL3972057 0.75 MAPK1 (0.71) ACP1MAPK1TSHRALOX15TP53

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
Send feedback