SCHEMBL15909655

SCHEMBL15909655

CC1(C)c2cc(-c3ccccc3)cc3ccc4cc(-c5ccc(N(c6ccccc6)c6cccnc6)cc5)cc1c4c23

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.43
CYP11B2 P19099 6/20 0.40
CYP11B1 P15538 5/20 0.40
CYP17A1 P05093 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.36
CYP2A6 P11509 1/20 0.35
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PDK2 Q15119 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
DHODH Q02127 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL17849665 0.95 CYP11B2 (0.46) CYP19A1CYP11B2CYP11B1CYP17A1CYP2A6
SCHEMBL17849678 0.95 CYP11B2 (0.46) CYP19A1CYP11B2CYP11B1CYP17A1CYP2A6
SCHEMBL15909626 0.93 CYP19A1 (0.36) CYP19A1CYP11B2CYP11B1CYP17A1PTGDR2
SCHEMBL15909647 0.90 PTGDR2 (0.37) CYP19A1CYP11B2CYP11B1CYP17A1PTGDR2
SCHEMBL15909623 0.90 CYP11B2 (0.44) CYP19A1CYP11B2CYP11B1CYP17A1CYP2A6
SCHEMBL17849669 0.89 CYP11B2 (0.43) CYP19A1CYP11B2CYP11B1CYP17A1CYP2A6
SCHEMBL15909796 0.89 PDK2 (0.39) CYP19A1CYP11B2CYP11B1CYP17A1PTGDR2
SCHEMBL17849664 0.89 CYP11B2 (0.51) CYP19A1CYP11B2CYP11B1CYP17A1CYP2A6
SCHEMBL17849610 0.89 L3MBTL1 (0.34) CYP11B2CYP11B1RAB9ANPC1KDM4E
SCHEMBL17849643 0.89 L3MBTL1 (0.34) CYP11B2CYP11B1RAB9ANPC1KDM4E

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