SCHEMBL3719087

SCHEMBL3719087

O=[N+]([O-])c1cc[c]c(-c2ccoc2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
ERN1 O75460 1/20 0.39
TSHR P16473 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.34
CYP19A1 P11511 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PSMB8 P28062 1/20 0.32
PTPRC P08575 1/20 0.32
S100A4 P26447 1/20 0.32
ACHE P22303 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
SCHEMBL3277951 0.78 APP (0.44) TSHRLMNAMAPTALDH1A1TDP1
SCHEMBL5096848 0.77 ALDH1A1 (0.47) TSHRLMNAPOLBCYP19A1MAPT
SCHEMBL6373056 0.76 TSHR (0.53) TSHRLMNAPOLBCES2CES1
SCHEMBL10477420 0.74 ALDH1A1 (0.44) TSHRLMNACYP19A1CES2CES1
SCHEMBL11385468 0.74 POLB (0.46) TSHRLMNAPOLBCYP19A1MAPT
SCHEMBL5461460 0.74 GABRP (0.46) TSHRLMNAPOLBCYP19A1CES2
SCHEMBL14880550 0.74 ALDH1A1 (0.44) TSHRLMNAPOLBMAPTALDH1A1
SCHEMBL10577172 0.74 HSPB1 (0.42) TSHRLMNAPOLBCYP19A1MAPT
SCHEMBL6321027 0.74 ACHE (0.50) TSHRLMNAPOLBMAPTALDH1A1
SCHEMBL7367581 0.73 CHEK1 (0.47) ERN1TSHRLMNAPOLBCES2

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-2010135424-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-11-25 WO disclosed