SCHEMBL15909657

SCHEMBL15909657

CC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccnc5)cc4)cc3)cc3ccc4cc(-c5ccc6c(c5)oc5ccccc56)cc1c4c23

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.38
CYP11B2 P19099 8/20 0.38
CYP11B1 P15538 7/20 0.38
CYP17A1 P05093 3/20 0.38
PGR P06401 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
DHODH Q02127 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL15909819 0.91 CYP11B2 (0.44) CYP19A1CYP11B2CYP11B1CYP17A1PGR
SCHEMBL15909654 0.88 CYP11B2 (0.37) CYP11B2CYP11B1CYP17A1PGRALDH1A1
SCHEMBL17849665 0.87 CYP11B2 (0.46) CYP19A1CYP11B2CYP11B1CYP17A1DHODH
SCHEMBL17849678 0.87 CYP11B2 (0.46) CYP19A1CYP11B2CYP11B1CYP17A1DHODH
SCHEMBL15909808 0.85 CYP11B2 (0.45) CYP19A1CYP11B2CYP11B1CYP17A1PGR
SCHEMBL17849674 0.84 CYP11B1 (0.40) CYP19A1CYP11B2CYP11B1CYP17A1PIM1
SCHEMBL15909655 0.83 CYP19A1 (0.43) CYP19A1CYP11B2CYP11B1CYP17A1ALDH1A1
SCHEMBL15909623 0.83 CYP11B2 (0.44) CYP19A1CYP11B2CYP11B1CYP17A1PGR
SCHEMBL16168888 0.82 HCRTR1 (0.42) PGRALDH1A1KDM4ENPC1MAPT
SCHEMBL17849669 0.82 CYP11B2 (0.43) CYP19A1CYP11B2CYP11B1CYP17A1PGR

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