SCHEMBL23168504

SCHEMBL23168504

CC1(C)c2cc(Nc3ccc(-c4cccc5sc6ccccc6c45)cc3)ccc2-c2cc3ccccc3cc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.35
▸ IDO1 P14902 1/20 0.31
▸ FLT4 P35916 1/20 0.30
▸ S1PR5 Q9H228 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL17690164 0.91 PDK2 (0.38) PDK2IDO1FLT4
SCHEMBL21446443 0.87 CSF1R (0.35) PDK2IDO1FLT4
SCHEMBL25569016 0.84 PDK2 (0.40) PDK2ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL23372570 0.84 PDK2 (0.37) PDK2IDO1
SCHEMBL23372492 0.83 IDO1 (0.31) PDK2IDO1
SCHEMBL25003257 0.82 PDK2 (0.34) PDK2
SCHEMBL25002056 0.82 PDK2 (0.36) PDK2
SCHEMBL23372605 0.82 PDK2 (0.36) PDK2
SCHEMBL24285519 0.82 ALK (0.32) ALDH1A1HPGDHSD17B10
SCHEMBL24969765 0.82 PDK2 (0.37) 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
WO-2021060723-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-04-01 — — WO disclosed
Send feedback