SCHEMBL20752001

SCHEMBL20752001

Cc1ccc2c(oc3ccccc32)c1N1C=CN(C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
PPARG P37231 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
MAPK1 P28482 1/20 0.32
MAOA P21397 1/20 0.31
KDM4E B2RXH2 1/20 0.31
AHR P35869 2/20 0.31
DRD4 P21917 1/20 0.31

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
SCHEMBL20402554 0.83 PGR (0.33) PGRHRH4MEN1KMT2ACYP2C19
SCHEMBL19901159 0.83 SMN1; SMN2 (0.34) PGRHRH4MEN1KMT2ACYP2C19
SCHEMBL20365240 0.81 MEN1 (0.34) PGRMEN1KMT2ACYP2C19TSHR
SCHEMBL24577518 0.81 MEN1 (0.33) PGRHRH4MEN1KMT2ACYP2C19
SCHEMBL20834700 0.79 MEN1 (0.33) PGRMEN1KMT2ACYP2C19
SCHEMBL12349444 0.79 ALOX5 (0.38) HRH4MEN1KMT2ACYP2C19TSHR
SCHEMBL19976887 0.78 MEN1 (0.35) PGRMEN1KMT2ACYP2C19MAPK1
SCHEMBL19186571 0.77 PGR (0.37) PGRHRH4MEN1KMT2ACYP2C19
SCHEMBL20751999 0.76
SCHEMBL20686995 0.75 ALDH1A1 (0.35) PGRMEN1KMT2ACYP2C19TSHR

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-3444260-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2019-02-20 EP disclosed