SCHEMBL7746284

SCHEMBL7746284

O=C1C2=C(Nc3ccccc3C2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.52
PDK2 Q15119 1/20 0.52
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 2/20 0.43
THRB P10828 2/20 0.43
RECQL P46063 2/20 0.43
BLM P54132 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HK1 P19367 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
GALK1 P51570 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
MAOA P21397 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 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
SCHEMBL4579346 0.85 AHR (0.59) AHRPDK2MAPTMEN1KMT2A
SCHEMBL18601969 0.75 AHR (0.50) AHRPDK2MAPTMEN1KMT2A
SCHEMBL8776574 0.75 AHR (0.50) AHRPDK2MAPTMEN1KMT2A
SCHEMBL14081323 0.71 AHR (0.50) AHRPDK2MAPTMEN1KMT2A
SCHEMBL732656 0.71 MAOA (0.73) MAPTMEN1KMT2AKDM4EMAOA
SCHEMBL2087698 0.71 TDP2 (0.66) AHRPDK2MAPTMEN1KMT2A
SCHEMBL4156077 0.71 AHR (0.59) AHRPDK2MAPTMEN1KMT2A
Oxindole SCHEMBL1144643 0.69 AHR (1.00) AHRPDK2MAPTMEN1KMT2A
Oxindole SCHEMBL19504 0.69 AHR (1.00) AHRPDK2MAPTMEN1KMT2A
Oxindole SCHEMBL29358826 0.69 AHR (1.00) AHRPDK2MAPTMEN1KMT2A

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-2722322-B1 1,3-DI-OXO-INDENE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ANTIVIRAL, ACTIVE INGREDIENT KOREA RES INST CHEMICAL TECH (KR) 2019-06-12 EP disclosed
JP-2001089455-A 5,10-DIHYDRO-11H-INDENO[1,2-B]QUINOLIN-10-ONE DERIVATIVE MARUISHI PHARMACEUTICAL CO LTD 2001-04-03 JP disclosed