SCHEMBL21064258

SCHEMBL21064258

C=Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 17/20 0.43
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HDAC2 Q92769 1/20 0.36

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
SCHEMBL21730724 0.93 PDK2 (0.51) PDK2
SCHEMBL21730592 0.91 PDK2 (0.41) PDK2ALDH1A1TSHRHDAC2
SCHEMBL21730725 0.87 PDK2 (0.40) PDK2ALDH1A1TSHRHDAC2
SCHEMBL6294152 0.86 PDK2 (0.53) PDK2
SCHEMBL24141680 0.85 PDK2 (0.36) PDK2ALDH1A1TSHRHDAC2
SCHEMBL23134185 0.85 PDK2 (0.38) PDK2HDAC2
SCHEMBL22891864 0.84 PDK2 (0.39) PDK2HDAC2
SCHEMBL416947 0.84 PDK2 (0.50) PDK2
SCHEMBL415665 0.84 PDK2 (0.50) PDK2
SCHEMBL29756478 0.84 PDK2 (0.50) PDK2

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
US-10308735-B2 Material for organic light-emitting device and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-06-04 US disclosed