SCHEMBL6203738

SCHEMBL6203738

Oc1ccc2[nH]c(Cc3ccccc3)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.62
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
BACE1 P56817 1/20 0.48
OPRK1 P41145 1/20 0.48
SMAD3 P84022 1/20 0.47
PDGFRB P09619 2/20 0.46
FLT3 P36888 2/20 0.46
PDGFRA P16234 1/20 0.46
ALOX5 P09917 1/20 0.46
ABL1 P00519 1/20 0.45
KIT P10721 1/20 0.45
BCR P11274 1/20 0.45
SRC P12931 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL9530334 0.84 MEN1 (0.49) F2BACE1SMAD3PDGFRBFLT3
SCHEMBL8932700 0.82 F2 (0.61) F2TSHRSMN1; SMN2
SCHEMBL3193871 0.80 LOXL2 (0.60) F2OPRK1IDO1
SCHEMBL30105384 0.80 LOXL2 (0.60) F2OPRK1IDO1
SCHEMBL6617237 0.80 F2 (0.62) F2GAAPKMGRIN1GRIN2B
SCHEMBL28178529 0.80 F2 (0.58) F2IDO1SMN1; SMN2
SCHEMBL6585933 0.80 F2 (0.58) F2SMN1; SMN2
SCHEMBL6824873 0.80 LOXL2 (0.60) F2SMN1; SMN2
SCHEMBL977626 0.80 F2 (0.70) F2TSHRSMN1; SMN2
Bromide SCHEMBL30437340 0.79 LOXL2 (0.58) F2OPRK1IDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569901-A2 ARYL, ARYLOXY, AND ALKYLOXY SUBSTITUTED i 1H /i -INDOL-3-YL GLYOXYLIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2005-09-07 EP disclosed
WO-2004052854-A2 ARYL, ARYLOXY, AND ALKYLOXY SUBSTITUTED 1H-INDOL-3-YL GLYOXYLIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2004-06-24 WO disclosed