SCHEMBL24465876

SCHEMBL24465876

COc1ccc(-c2cncn2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
GSK3B P49841 1/20 0.51
DYRK1A Q13627 1/20 0.51
IDO1 P14902 2/20 0.47
HPGDS O60760 1/20 0.47
QPCT Q16769 1/20 0.46
QPCTL Q9NXS2 1/20 0.46
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHEK1 O14757 1/20 0.44
LDLR P01130 1/20 0.44
PCSK9 Q8NBP7 1/20 0.44
SRC P12931 2/20 0.44
ATM Q13315 3/20 0.43
CRBN Q96SW2 1/20 0.42
FLT3 P36888 1/20 0.42
ICAM1 P05362 1/20 0.42
SELE P16581 1/20 0.42

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
SCHEMBL28035340 0.81 IDO1 (0.64) MAPTCYP11B1CYP11B2GSK3BDYRK1A
SCHEMBL19981228 0.81 ATP1A1 (0.45) GSK3BDYRK1AIDO1HPGDSLDLR
SCHEMBL1502339 0.79 IDO1 (0.51) CYP11B1CYP11B2GSK3BDYRK1AIDO1
SCHEMBL10985757 0.77 CYP11B1 (0.51) MAPTCYP11B1CYP11B2QPCTQPCTL
SCHEMBL5779888 0.77 IDO1 (0.50) GSK3BDYRK1AIDO1HPGDSTDP1
Ammonia Solution, Strong SCHEMBL28862527 0.77 IDO1 (0.50) CYP11B1CYP11B2GSK3BDYRK1AIDO1
SCHEMBL15875301 0.77 IDO1 (0.64) CYP11B1CYP11B2GSK3BDYRK1AIDO1
SCHEMBL24185698 0.77 IDO1 (0.50) GSK3BDYRK1AIDO1HPGDSCHEK1
SCHEMBL22874232 0.77 IDO1 (0.59) GSK3BDYRK1AIDO1HPGDS
SCHEMBL10985317 0.77 IDO1 (0.53) GSK3BDYRK1AIDO1HPGDSLDLR

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-4006013-A1 NOVEL SMALL MOLECULE COMPOUND INHIBITING SIGNAL TRANSMISSION PATH OF TLR7 AND TLR9 AND USE THEREOF Ajou University Industry-Academic Cooperation Foundation (KR) 2022-06-01 EP disclosed