SCHEMBL21728336

SCHEMBL21728336

C1=Cc2c(cccc2-c2cc(-c3cccc4ccccc34)nc(-c3ccc(C4(c5ccc(-c6nc(C7=CCCc8ccccc87)cc(-c7cccc8ccccc78)n6)cc5)CCCCC4)cc3)n2)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32

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
SCHEMBL21728452 0.84
SCHEMBL17725320 0.79 MEN1 (0.38) MAPT
SCHEMBL21728293 0.77
SCHEMBL17725363 0.76 ALDH1A1 (0.36) MAPT
SCHEMBL21728265 0.76
SCHEMBL19313815 0.75 MEN1 (0.41) MAPTCYP2C19
SCHEMBL17725346 0.75 MEN1 (0.41) MAPTCYP2C19
SCHEMBL21728348 0.75 MEN1 (0.31) MAPT
SCHEMBL21728136 0.74 PGR (0.32)
SCHEMBL17725518 0.73 HPGD (0.40) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3214084-B1 CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-19 EP disclosed