SCHEMBL21391622

SCHEMBL21391622

Cc1ccc2c(c1)c1ccccc1n2O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
KDM4E B2RXH2 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
PGR P06401 1/20 0.43
RORA P35398 1/20 0.43
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL14394443 0.89 DAO (0.47) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL21391623 0.85 TSPO (0.45) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL27426783 0.83 BCHE (0.46) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL881552 0.82 GPR3 (0.67) MAPTKDM4EMEN1KMT2AHTT
Ethane SCHEMBL28032544 0.80 GPR3 (0.55) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL23491106 0.80 BCHE (0.44) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL23352488 0.80 BCHE (0.44) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL17750896 0.80 BCHE (0.44) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL24729025 0.80 GPR3 (0.64) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL24136008 0.80 MAPT (0.44) MAPTKDM4EMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119590-A1 POLYMERS WITH AMINE-GROUP-CONTAINING REPEATING UNITS MERCK PATENT GMBH (DE) 2022-04-21 US disclosed
US-20210277176-A1 FORMULATION CONTAINING A HIGHLY BRANCHED POLYMER, HIGHLY BRANCHED POLYMER AND ELECTRO-OPTICAL DEVICE CONTAINING THIS HIGHLY BRANCHED POLYMER MERCK PATENT GMBH (DE) 2021-09-09 US disclosed
US-20190296242-A1 POLYMERS WITH ASYMMETRIC REPEATING UNITS MERCK PATENT GMBH (DE) 2019-09-26 US disclosed