SCHEMBL29025580

SCHEMBL29025580

CC1(C)c2cc(Cl)ccc2N(CCCCBr)c2ccc(Cl)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 4/20 0.52
KCNK10 P57789 1/20 0.52
KCNK4 Q9NYG8 1/20 0.52
KMT2A Q03164 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PRMT1 Q99873 1/20 0.38
MEN1 O00255 3/20 0.37
PIM1 P11309 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 2/20 0.36
CYP3A4 P08684 2/20 0.36
SLC22A1 O15245 1/20 0.36
ABCB11 O95342 1/20 0.36
ADRB2 P07550 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL31171874 0.83 KMT2A (0.42) KCNK2KCNK10KCNK4KMT2ACYP1A2
SCHEMBL29025689 0.83 KMT2A (0.44) KCNK2KCNK10KCNK4KMT2ACYP1A2
SCHEMBL31171963 0.78 KMT2A (0.43) KCNK2KCNK10KCNK4KMT2ACYP1A2
SCHEMBL29025681 0.78 CYP2D6 (0.64) KMT2ACYP1A2CYP2D6LMNAALDH1A1
SCHEMBL16147752 0.76 KCNK2 (0.52) KCNK2KCNK10KCNK4KMT2ACYP1A2
SCHEMBL21840275 0.75 HDAC6 (0.49) KMT2ACYP1A2CYP2D6LMNASMN1; SMN2
SCHEMBL31490924 0.75 HDAC6 (0.41) KCNK2KMT2ACYP1A2CYP2D6LMNA
SCHEMBL16156863 0.74 KCNK2 (0.53) KCNK2KCNK10KCNK4LMNAALDH1A1
SCHEMBL13753893 0.74 KCNK2 (0.44) KCNK2KCNK10KCNK4KMT2ALMNA
SCHEMBL10711847 0.72 ADRA1D (0.42) KMT2AMEN1ADRA1DADRA1APTGDR2

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
CN-116178430-A Acridine-based self-assembled hole selection material and preparation method and application thereof 南方科技大学 2023-05-30 CN disclosed