SCHEMBL21780866

SCHEMBL21780866

CCCCCn1ncc2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.46
EGFR P00533 3/20 0.39
GLS O94925 1/20 0.39
CACNA1H O95180 1/20 0.38
SLC9A1 P19634 3/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HCAR3 P49019 1/20 0.37
TLR8 Q9NR97 1/20 0.37
PLA2G4A P47712 1/20 0.36
PKM P14618 1/20 0.36
SLC6A2 P23975 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
OXER1 Q8TDS5 1/20 0.36

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
SCHEMBL13548 0.89 KMO (0.49) KMOEGFRGLSCACNA1HHTR2A
SCHEMBL539125 0.84 KMO (0.48) KMOEGFRGLSSLC9A1HTR2A
SCHEMBL2444717 0.83 KMO (0.50) KMOEGFRGLSHTR2AHTR2C
SCHEMBL30928551 0.82 KMO (0.44) KMOEGFRGLSCACNA1HHTR2A
SCHEMBL13528 0.82 KMO (0.44) KMOEGFRGLSCACNA1HHTR2A
SCHEMBL109465 0.81 KMO (0.50) KMOEGFRGLSHTR2AHTR2C
SCHEMBL21183580 0.80 KMO (0.49) KMOEGFRGLSHTR2AHTR2C
SCHEMBL29804486 0.80 KMO (0.52) KMOEGFRGLSHTR2AHTR2C
SCHEMBL15447295 0.80 KMO (0.52) KMOEGFRGLSHTR2AHTR2C
SCHEMBL27799511 0.79 KMO (0.50) KMOEGFRGLSHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed