SCHEMBL9255244

SCHEMBL9255244

[c]1ccc(N(Cc2ccccc2)c2ccccc2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.36
TSHR P16473 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KCNA3 P22001 1/20 0.35
ALDH1A1 P00352 4/20 0.32
KCNH2 Q12809 2/20 0.32
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C19 P33261 1/20 0.31
AOC3 Q16853 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL9252140 0.83 APAF1 (0.38) NR3C2TSHRALDH1A1NPC1GLA
SCHEMBL296148 0.76 KDM4E (0.33) ALDH1A1CYP2C19MAPT
SCHEMBL284744 0.73 SIGMAR1 (0.44) NR3C2TSHRHDAC1HDAC8HDAC6
SCHEMBL9256410 0.73 CHKA (0.38) HTT
SCHEMBL918512 0.71 NR3C2 (0.56) NR3C2TSHRHDAC1HDAC8HDAC6
SCHEMBL9446230 0.69 NR3C2 (0.59) NR3C2TSHRHDAC1HDAC8HDAC6
Bromide SCHEMBL4613403 0.69 NR3C2 (0.55) NR3C2TSHRHDAC1HDAC8HDAC6
SCHEMBL5843435 0.69 NR3C2 (0.47) NR3C2TSHRHDAC1HDAC8HDAC6
SCHEMBL249747 0.69 CHEK1 (0.44) TSHRALDH1A1HTTSMN1; SMN2CYP2C19
SCHEMBL297213 0.68 AR (0.33) TSHRALDH1A1MAPTMAPK1

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-5395969-A Charge transport or control agents; photoconductors; electrographic toners ZENECA LIMITED (GB) 1995-03-07 US disclosed