SCHEMBL23936258

SCHEMBL23936258

CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C(C)(C)C4(C)C)c3ccc4c(c3)-c3ccccc3C(c3ccccc3)(c3ccccc3)C4(c3ccccc3)c3ccccc3)ccc2C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.33
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.30
HIF1A Q16665 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
SCHEMBL23936521 0.97 ALDH1A1 (0.36) PDK2KDM4EMAPTMEN1KMT2A
SCHEMBL23936311 0.89 PDK2 (0.38) PDK2KDM4EMAPTMEN1LMNA
SCHEMBL23936306 0.89 PDK2 (0.31) PDK2KDM4EMAPTALDH1A1CYP3A4
SCHEMBL23936034 0.87 ALDH1A1 (0.42) PDK2KDM4EMAPTMEN1LMNA
SCHEMBL23936300 0.82 PDK2 (0.40) PDK2MAPTMEN1LMNAKMT2A
SCHEMBL23935987 0.81 ALDH1A1 (0.36) PDK2KDM4EMAPTMEN1LMNA
SCHEMBL23935988 0.81 PDK2 (0.33) PDK2KDM4EMAPTLMNAALDH1A1
SCHEMBL21010909 0.80 ALDH1A1 (0.39) PDK2KDM4EMAPTMEN1LMNA
SCHEMBL23936481 0.80 ALDH1A1 (0.37) PDK2KDM4EMAPTMEN1LMNA
SCHEMBL23936534 0.79 PDK2 (0.32) PDK2TDP1

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-20210328150-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-21 US disclosed