SCHEMBL22744993

SCHEMBL22744993

CC(C)(C)c1ccc2c(c1)C1(c3cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.39
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
CYP2D6 P10635 1/20 0.34

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
SCHEMBL24387972 0.99 PDK2 (0.38) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23485656 0.99 PDK2 (0.38) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23485494 0.95 PDK2 (0.36) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23485315 0.95 PDK2 (0.36) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23485529 0.95 PDK2 (0.36) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL21881058 0.95 NPC1 (0.38) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23485516 0.94 PDK2 (0.36) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23485165 0.94 PDK2 (0.36) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23485496 0.94 PDK2 (0.35) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL22744994 0.94 PDK2 (0.35) PDK2NPC1ALDH1A1PLA2G1BNFKB1

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-2020237835-A1 SPIROBIFLUORENE ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE 南京高光半导体材料有限公司 2020-12-03 WO disclosed