SCHEMBL23960853

SCHEMBL23960853

CC(C)c1cc(C(C)(C)C)cc(C(C)C)c1-c1ccnc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.38
MKNK1 Q9BUB5 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
IDO1 P14902 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35

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
SCHEMBL23960843 0.81 LMNA (0.41) AAK1MKNK1BMP2KIDO1
SCHEMBL23960839 0.81 AAK1 (0.40) AAK1IDO1S1PR1S1PR3
SCHEMBL23960861 0.79 KIF11 (0.50) S1PR1S1PR3
SCHEMBL23960912 0.75 ADORA2A (0.42) IDO1S1PR1S1PR3
SCHEMBL3281593 0.74 KIF11 (0.57) AAK1IDO1S1PR1S1PR3
SCHEMBL31380444 0.74 KIF11 (0.57) AAK1IDO1S1PR1S1PR3
SCHEMBL23960837 0.72 KDM4E (0.35) IDO1
SCHEMBL24140123 0.71 IDO1 (0.46) AAK1MKNK1BMP2KIDO1S1PR1
SCHEMBL31411143 0.70 RECQL (0.42) IDO1S1PR1S1PR3
SCHEMBL803495 0.70 RECQL (0.42) IDO1S1PR1S1PR3

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-20210332290-A1 ORGANIC LIGHT-EMITTING MATERIAL BASED ON A PLATINUM TETRADENTATE ONCN COMPLEX, PREPARATION METHOD AND APPLICATION THEREOF IN ORGANIC LIGHT-EMITTING DIODES GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2021-10-28 US disclosed