SCHEMBL19862511

SCHEMBL19862511

Cc1cc(C)c2sc3c(-c4cccc(-c5cncc(-c6cncc(-c7cccc(-c8cc(C)cc9c8sc8c(C)cc(C)cc89)c7)c6)c5)c4)cc(C)cc3c2c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.35
MAP3K8 P41279 4/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP2A6 P11509 6/20 0.33
ACLY P53396 2/20 0.33
CYP17A1 P05093 1/20 0.32
METAP2 P50579 1/20 0.32
CYP2E1 P05181 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2B6 P20813 2/20 0.31
CYP2C19 P33261 2/20 0.31
MAP2K4 P45985 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL16405903 1.00 PSMB5 (0.35) PSMB5MAP3K8CYP11B1CYP11B2CYP2A6
SCHEMBL16405938 0.84 MAP3K8 (0.36) MAP3K8ACLYCYP17A1MAP2K4
SCHEMBL19862512 0.84 MAP3K8 (0.36) MAP3K8ACLYCYP17A1MAP2K4
SCHEMBL16405864 0.83 TGFBR1 (0.36) PSMB5CYP2A6
SCHEMBL16405902 0.80 ALOX5 (0.38) MAP3K8CYP11B1CYP11B2CYP2A6CYP17A1
SCHEMBL19862510 0.80 ALOX5 (0.38) MAP3K8CYP11B1CYP11B2CYP2A6CYP17A1
SCHEMBL21157789 0.79 MAP3K8 (0.37) PSMB5MAP3K8METAP2
SCHEMBL14554421 0.79 AR (0.33) PSMB5CYP2A6
SCHEMBL12268448 0.79 NPC1 (0.33) PSMB5
SCHEMBL4549307 0.78 CYP1A2 (0.41) PSMB5CYP11B1CYP2A6METAP2

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-20180047911-A1 Organic Compound, Light-Emitting Element, Display Module, Lighting Module, Light-Emitting Device, Display Device, Lighting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-02-15 US disclosed
US-20180047911-A1 Organic Compound, Light-Emitting Element, Display Module, Lighting Module, Light-Emitting Device, Display Device, Lighting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-02-15 US disclosed