SCHEMBL15909666

SCHEMBL15909666

CC1(C)c2cccc3ccc4cc(-c5ccc(N(c6ccc(C#N)cc6)c6ccc(-c7cccnc7)cc6)cc5)cc1c4c23

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 12/20 0.48
CYP11B1 P15538 10/20 0.48
CYP17A1 P05093 4/20 0.48
CYP19A1 P11511 5/20 0.38
NPY5R Q15761 1/20 0.36
ABL1 P00519 1/20 0.35
PDGFRB P09619 1/20 0.35
BCR P11274 1/20 0.35
PDGFRA P16234 1/20 0.35
PRKCA P17252 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA4 P43681 1/20 0.35
STK10 O94804 1/20 0.33
SLK Q9H2G2 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP3A4 P08684 1/20 0.33
SCN9A Q15858 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
SCHEMBL15909645 0.94 CYP11B2 (0.45) CYP11B2CYP11B1CYP17A1CYP19A1NPY5R
SCHEMBL17849666 0.93 CYP11B2 (0.51) CYP11B2CYP11B1CYP17A1CYP19A1NPY5R
SCHEMBL17849684 0.93 CYP11B2 (0.43) CYP11B2CYP11B1CYP17A1CYP19A1NPY5R
SCHEMBL15909664 0.92 CYP11B2 (0.50) CYP11B2CYP11B1CYP17A1CYP19A1NPY5R
SCHEMBL15909623 0.89 CYP11B2 (0.44) CYP11B2CYP11B1CYP17A1CYP19A1CYP2A6
SCHEMBL17849647 0.89 MYC (0.37) SCN9A
SCHEMBL15909662 0.89 CYP11B2 (0.43) CYP11B2CYP11B1CYP17A1CYP19A1NPY5R
SCHEMBL15909639 0.87 CYP11B2 (0.39) CYP11B2CYP11B1CYP17A1STK10SLK
SCHEMBL15909665 0.87 HRH3 (0.35) SCN9A
SCHEMBL15909625 0.85 HRH3 (0.37) CYP11B2CYP11B1CYP17A1SCN9A

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