SCHEMBL21391623

SCHEMBL21391623

Cc1ccc(-c2ccc3c(c2)c2ccccc2n3O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 4/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NR4A2 P43354 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ICMT O60725 1/20 0.39

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
SCHEMBL21781196 0.87 TSPO (0.51) TSPOMAPTHTTMEN1KMT2A
SCHEMBL21391622 0.85 MAPT (0.44) MAPTLMNAHTTMEN1KMT2A
SCHEMBL17854085 0.84 GPR3 (0.57) TSPOMAPTLMNAHTTMEN1
SCHEMBL17229602 0.84 GPR3 (0.57) TSPOMAPTLMNAHTTMEN1
SCHEMBL24315418 0.83 TSPO (0.42) TSPOMAPTLMNAHTTMEN1
SCHEMBL18574393 0.83 MAPT (0.44) TSPOMAPTLMNAHTTMEN1
SCHEMBL21787843 0.83 TSPO (0.42) TSPOMAPTLMNAHTTMEN1
SCHEMBL19785205 0.81 KDM4E (0.50) TSPOMAPTLMNAHTTKDM4E
SCHEMBL11917680 0.81 KDM4E (0.50) TSPOMAPTLMNAHTTKDM4E
SCHEMBL17178970 0.81 KDM4E (0.50) TSPOMAPTLMNAHTTKDM4E

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