SCHEMBL17849666

SCHEMBL17849666

CC1(C)c2cc(-c3ccccc3)cc3ccc4cc(-c5ccc(N(c6ccc(C#N)cc6)c6ccc(-c7cccnc7)cc6)cc5)cc1c4c23

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.51
CYP11B1 P15538 7/20 0.51
CYP17A1 P05093 3/20 0.51
CYP19A1 P11511 5/20 0.40
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
NPY5R Q15761 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
MYC P01106 1/20 0.36
GBA1 P04062 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL15909664 0.99 CYP11B2 (0.50) CYP11B2CYP11B1CYP17A1CYP19A1GABRA1
SCHEMBL15909666 0.93 CYP11B2 (0.48) CYP11B2CYP11B1CYP17A1CYP19A1NPY5R
SCHEMBL15909800 0.91 CYP11B2 (0.48) CYP11B2CYP11B1CYP17A1CYP19A1GABRA1
SCHEMBL17849665 0.90 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL17849678 0.90 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL15909775 0.89 CYP11B2 (0.61) CYP11B2CYP11B1CYP17A1CYP19A1GABRA1
SCHEMBL15909652 0.89 MYC (0.39) CYP11B2CYP11B1CYP17A1GABRA1GABRG2
SCHEMBL15909662 0.87 CYP11B2 (0.43) CYP11B2CYP11B1CYP17A1CYP19A1NPY5R
SCHEMBL15909645 0.87 CYP11B2 (0.45) CYP11B2CYP11B1CYP17A1CYP19A1NPY5R
SCHEMBL17849664 0.86 CYP11B2 (0.51) CYP11B2CYP11B1CYP17A1CYP19A1KDM4E

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-9371270-B2 Compound for organic light-emitting device and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-21 US disclosed
US-9371270-B2 Compound for organic light-emitting device and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-21 US disclosed