SCHEMBL23920581

SCHEMBL23920581

CCC(C)N(c1ccccc1)c1ccccc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MAPT P10636 2/20 0.37
KCNQ2 O43526 1/20 0.37
KDM4E B2RXH2 4/20 0.36
PKM P14618 1/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
TRPA1 O75762 1/20 0.34
HTT P42858 2/20 0.33
ALOX12 P18054 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 1/20 0.33
HTR7 P34969 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33

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
SCHEMBL23920580 0.84 NPC1 (0.37) LMNAMAPTHTTMEN1KMT2A
SCHEMBL23776042 0.84 ALDH1A1 (0.39) LMNAMAPTKDM4EALDH1A1HTT
SCHEMBL24865127 0.81 ALDH1A1 (0.43) LMNAMAPTKDM4EALDH1A1GLA
SCHEMBL1454888 0.81 ALDH1A1 (0.43) LMNAMAPTKDM4EALDH1A1GLA
SCHEMBL23920578 0.81 PGR (0.37) KDM4EMEN1KMT2A
Ethane SCHEMBL27855488 0.79 ALDH1A1 (0.42) LMNAMAPTKDM4EALDH1A1GLA
SCHEMBL11483584 0.79 ALDH1A1 (0.42) LMNAMAPTKDM4EALDH1A1GLA
SCHEMBL21514979 0.78 PTGS2 (0.41) LMNAMAPTKDM4EALDH1A1HTT
SCHEMBL20152515 0.77 CDC25B (0.40) LMNAMAPTKDM4EALDH1A1HTT
SCHEMBL20152513 0.77 MAPT (0.38) LMNAMAPTKDM4EALDH1A1HTT

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-20210320263-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-14 US disclosed