SCHEMBL8157632

SCHEMBL8157632

CC1C=C(N)c2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 9/20 0.50
NOS2 P35228 7/20 0.50
ACHE P22303 1/20 0.46
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.38
METAP1 P53582 1/20 0.35
NOTUM Q6P988 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL28170415 0.76 ACHE (0.46) NOS3NOS2ACHETSHRHTR2A
SCHEMBL18903150 0.73 NOS3 (0.41) NOS3NOS2ACHETSHRMAPT
SCHEMBL13055815 0.72 NOS3 (0.39) NOS3NOS2ACHETSHRHTR2A
SCHEMBL22566378 0.72 ACHE (0.42) NOS3NOS2ACHETSHRHTR2A
SCHEMBL1200699 0.69 ACHE (0.56) NOS3NOS2ACHETSHRHTR2A
SCHEMBL8163045 0.68 DRD2 (0.48) ACHEHTR2AMAPTMAPK1
SCHEMBL8060964 0.67 NOS3 (1.00) NOS3NOS2ACHETSHR
SCHEMBL15188519 0.65 ACHE (0.52) NOS3NOS2ACHETSHRHTR2A
Iodide SCHEMBL8098294 0.65 NOS3 (0.96) NOS3NOS2ACHETSHR
SCHEMBL21600658 0.65 ACHE (0.39) NOS3NOS2ACHETSHRHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220416174-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-12-29 US disclosed
EP-1021397-A4 BENZANTHRONE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS INC (US) 2000-10-04 EP disclosed
EP-1021397-A1 BENZANTHRONE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS INC. (US) 2000-07-26 EP disclosed
WO-1998039287-A1 BENZANTHRONE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 1998-09-11 WO disclosed