SCHEMBL21758892

SCHEMBL21758892

Cc1cc(I)cc(C2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
KDM4B O94953 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
DOHH Q9BU89 1/20 0.39
CNR2 P34972 2/20 0.36
PSMB5 P28074 1/20 0.36
HTR2C P28335 2/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL21085209 0.98 NR1I2 (0.36) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL16955258 0.90 HTR2C (0.37) HTR2C
SCHEMBL10793083 0.87 NR1I2 (0.46) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL27753874 0.85 NR1I2 (0.44) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL27753875 0.85 NR1I2 (0.44) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL2696735 0.85 NR1I2 (0.44) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL27774514 0.85 NR1I2 (0.44) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL28176195 0.85 NR1I2 (0.42) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL32679683 0.83 NR1I2 (0.41) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL13520634 0.78 HTR2C (0.45) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4206210-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2023-07-05 EP disclosed
EP-3613751-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2020-02-26 EP disclosed