SCHEMBL15909654

SCHEMBL15909654

CC1(C)c2cc(-c3ccc(N(c4ccc(C#N)cc4)c4cccnc4)cc3)cc3ccc4cc(-c5ccc6c(c5)oc5ccccc56)cc1c4c23

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.37
CYP11B1 P15538 2/20 0.37
CYP17A1 P05093 1/20 0.37
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TNKS O95271 1/20 0.32
PGR P06401 1/20 0.31
CYP3A4 P08684 3/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
FLT3 P36888 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL15909824 0.92 CYP11B2 (0.42) CYP11B2CYP11B1CYP17A1KDM4ENPC1
SCHEMBL15909657 0.88 CYP19A1 (0.38) CYP11B2CYP11B1CYP17A1KDM4ENPC1
SCHEMBL15909664 0.83 CYP11B2 (0.50) CYP11B2CYP11B1CYP17A1KDM4EABCG2
SCHEMBL17849666 0.82 CYP11B2 (0.51) CYP11B2CYP11B1CYP17A1KDM4EABCG2
SCHEMBL15909820 0.82 TNKS (0.42) KDM4EMAPTALDH1A1HPGDTNKS
SCHEMBL15909797 0.80 CYP11B2 (0.43) CYP11B2CYP11B1CYP17A1KDM4EPGR
SCHEMBL15909655 0.79 CYP19A1 (0.43) CYP11B2CYP11B1CYP17A1KDM4ENPC1
SCHEMBL15909639 0.79 CYP11B2 (0.39) CYP11B2CYP11B1CYP17A1PGRCYP3A4
SCHEMBL15909819 0.78 CYP11B2 (0.44) CYP11B2CYP11B1CYP17A1KDM4ENPC1
SCHEMBL15909640 0.78 FABP1 (0.31)

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