SCHEMBL27345142

SCHEMBL27345142

CC(C)(C)c1cccc(N(c2ccc(C3=NC4=NC(c5ccc(N(c6cccc(C(C)(C)C)c6)c6cccc(C(C)(C)C)c6)cc5)=NC5=NC(c6ccc(N(c7cccc(C(C)(C)C)c7)c7cccc(C(C)(C)C)c7)cc6)=NC(=N3)N45)cc2)c2cccc(C(C)(C)C)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
HDAC8 Q9BY41 2/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
PTAFR P25105 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
SCHEMBL19698884 0.86 TP53 (0.36) KIF11PTAFR
SCHEMBL16382111 0.86 KIF11 (0.38) KIF11PTAFR
SCHEMBL20779850 0.79 ALDH1A1 (0.41)
SCHEMBL27344845 0.79 CYP1A2 (0.32)
SCHEMBL2928411 0.78 RXRA (0.46) KIF11HDAC8RXRARXRBPTAFR
SCHEMBL13196502 0.76 KIF11 (0.45) KIF11
SCHEMBL24328344 0.75 ALDH1A1 (0.34)
SCHEMBL12774505 0.74 CYP2D6 (0.45) KIF11HDAC8RXRARXRB
SCHEMBL27110986 0.74 CYP2D6 (0.45) KIF11HDAC8RXRARXRB
SCHEMBL21391889 0.73 TSHR (0.45) KIF11HDAC8RXRARXRBPTAFR

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
WO-2023249092-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE DEVICE, ELECTRONIC APPARATUS, EMITTER, SOLAR CELL, AND LIGHT SENSOR 出光興産株式会社 2023-12-28 WO disclosed