SCHEMBL21840784

SCHEMBL21840784

CC(C)c1ccc(C(C)C)c(-n2ccnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
IDO1 P14902 3/20 0.40
CYP19A1 P11511 3/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
PMP22 Q01453 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL21725508 0.83 CYP17A1 (0.40) LMNAMAPTIDO1CYP19A1CYP11B1
SCHEMBL12913425 0.81 PDE4A (0.42) LMNAMAPTIDO1CYP19A1CYP11B1
SCHEMBL10022428 0.79 IDO1 (0.49) FABP4LMNAMAPTIDO1CYP19A1
SCHEMBL12913434 0.79 CYP19A1 (0.42) LMNAMAPTIDO1CYP19A1CYP11B1
SCHEMBL25442215 0.79 IDO1 (0.45) LMNAMAPTIDO1CYP19A1CYP11B1
SCHEMBL25442239 0.79 CRHR1 (0.39) LMNAMAPTIDO1CYP19A1CYP11B1
SCHEMBL25442823 0.79 ALDH1A1 (0.37) FABP4LMNAMAPTIDO1CYP19A1
SCHEMBL10044887 0.78 IDO1 (0.56) LMNAMAPTIDO1CYP19A1CYP11B1
SCHEMBL8738604 0.77 CYP19A1 (0.57) LMNACYP19A1CYP11B1CYP11B2CYP3A4
SCHEMBL25442732 0.76 ALDH1A1 (0.39) FABP4LMNAMAPTIDO1CYP19A1

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
US-11476430-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2022-10-18 US disclosed
US-20200119289-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-04-16 US disclosed