SCHEMBL15909647

SCHEMBL15909647

CC1(C)c2cc(-c3ccc(N(c4ccccc4)c4cccnc4)cc3)cc3ccc4cc(-c5c(F)c(F)c(F)c(F)c5F)cc1c4c23

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
CYP19A1 P11511 3/20 0.34
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
CYP17A1 P05093 1/20 0.32
PDK2 Q15119 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL15909655 0.90 CYP19A1 (0.43) PTGDR2CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL15909812 0.89 PTGDR2 (0.39) PTGDR2CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL15909626 0.86 CYP19A1 (0.36) PTGDR2CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL17849665 0.86 CYP11B2 (0.46) CYP19A1CYP11B1CYP11B2CYP17A1PDK2
SCHEMBL17849678 0.86 CYP11B2 (0.46) CYP19A1CYP11B1CYP11B2CYP17A1PDK2
SCHEMBL15909624 0.82 CYP11B2 (0.40) PTGDR2CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL15909623 0.81 CYP11B2 (0.44) CYP19A1CYP11B1CYP11B2CYP17A1PDK2
SCHEMBL15909656 0.81 KDM4E (0.36) PTGDR2CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL17849669 0.80 CYP11B2 (0.43) CYP19A1CYP11B1CYP11B2CYP17A1PDK2
SCHEMBL15909817 0.80 PDK2 (0.42) PTGDR2CYP19A1CYP11B1CYP11B2CYP17A1

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-20140209872-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed
US-20140209872-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed