SCHEMBL6542097

SCHEMBL6542097

C1=CC([N]C2C=Cc3ccccc32)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
HTR6 P50406 1/20 0.39
SIGMAR1 Q99720 6/20 0.34
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2D6 P10635 2/20 0.32
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 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
SCHEMBL30862398 0.86 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4EMEN1
SCHEMBL1680606 0.82 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4EMEN1
SCHEMBL10719308 0.79 HTR2A (0.35) HTR2AHTR6SIGMAR1MEN1KMT2A
SCHEMBL6541969 0.79 ALDH1A1 (0.33) CYP3A4HSD17B10ALDH1A1HPGD
SCHEMBL10719314 0.79 HTR2A (0.35) HTR2AHTR6SIGMAR1MEN1KMT2A
SCHEMBL17274422 0.77 HTR6 (0.38) HTR2AHTR6
SCHEMBL835706 0.74 MEN1 (0.33) HTR2AHTR6SIGMAR1KDM4EMEN1
SCHEMBL5698322 0.72 HTR2A (0.44) HTR2AHTR6SIGMAR1KDM4EMEN1
SCHEMBL31046607 0.70 HTR2A (0.43) HTR2AHTR6SIGMAR1KDM4EMEN1
SCHEMBL6233907 0.70 HTR2A (0.43) HTR2AHTR6SIGMAR1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4365180-A1 RARE EARTH COMPLEX Tosoh Corporation (JP) 2024-05-08 EP disclosed
WO-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 WO disclosed
EP-1452574-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME TOYO INK MFG. CO., LTD. (JP) 2004-09-01 EP disclosed
US-20040151944-A1 Anode, cathode, light emitting layers TOYO INK MFG. CO., LTD. (JP) 2004-08-05 US disclosed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed