SCHEMBL16168906

SCHEMBL16168906

c1ccc(-c2ccc3cc(-c4cc5c6c(ccc7cc(-c8nc(-c9cccnc9)cc(-c9cccnc9)n8)cc(c76)C5(c5ccccc5)c5ccccc5)c4)ccc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 6/20 0.51
▸ CYP11B2 P19099 9/20 0.48
▸ CYP11B1 P15538 8/20 0.48
▸ CYP17A1 P05093 4/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37

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
SCHEMBL18380700 0.99 CYP19A1 (0.50) CYP19A1CYP11B2CYP11B1CYP17A1SIRT2
SCHEMBL15423221 0.81 MEN1 (0.40) CYP19A1NPC1RAB9AKDM4EALDH1A1
SCHEMBL22037596 0.79 PDK2 (0.48) CYP19A1CYP11B2CYP11B1CYP17A1NPC1
SCHEMBL19039924 0.79 CYP11B2 (0.69) CYP19A1CYP11B2CYP11B1CYP17A1SIRT2
SCHEMBL22038957 0.78 CYP19A1 (0.47) CYP19A1CYP11B2CYP11B1CYP17A1NPC1
SCHEMBL22227771 0.78 CYP19A1 (0.49) CYP19A1CYP11B2CYP11B1CYP17A1NPC1
SCHEMBL22372453 0.78 CYP19A1 (0.49) CYP19A1CYP11B2CYP11B1CYP17A1NPC1
SCHEMBL31355554 0.78 CYP19A1 (0.49) CYP19A1CYP11B2CYP11B1CYP17A1NPC1
SCHEMBL31355558 0.78 CYP19A1 (0.49) CYP19A1CYP11B2CYP11B1CYP17A1NPC1
SCHEMBL31355556 0.78 CYP19A1 (0.49) CYP19A1CYP11B2CYP11B1CYP17A1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9548456-B2 Organic compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-17 — — US disclosed
US-9548456-B2 Organic compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-17 — — US disclosed
US-20140306190-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-16 — — US disclosed
US-20140306190-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-16 — — US disclosed
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