SCHEMBL30145007

SCHEMBL30145007

Cc1cc(N)ccc1Oc1cc(C)c(Oc2ccc(N)cc2C)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 6/20 0.38
MAPT P10636 6/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
THRB P10828 2/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 4/20 0.36
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR4A1 P22736 2/20 0.34
USP2 O75604 2/20 0.33
GAA P10253 4/20 0.32
PTK2B Q14289 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL27739232 0.88 CASP1 (0.44) ALDH1A1PDE10AKDM4EMAPTLMNA
SCHEMBL30473086 0.84 ALDH1A1 (0.56) ALDH1A1PDE10AKDM4EMAPTLMNA
SCHEMBL4329985 0.84 ALDH1A1 (0.56) ALDH1A1PDE10AKDM4EMAPTLMNA
SCHEMBL27901553 0.81 GAA (0.42) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL3038778 0.78 ALDH1A1 (0.45) ALDH1A1PDE10AKDM4EMAPTLMNA
SCHEMBL29549546 0.77 ALDH1A1 (0.48) ALDH1A1PDE10AKDM4EMAPTLMNA
SCHEMBL25968197 0.77 ALDH1A1 (0.48) ALDH1A1PDE10AKDM4EMAPTLMNA
SCHEMBL1352574 0.76 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL29475151 0.76 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL5552568 0.76 SMN1; SMN2 (0.47) ALDH1A1PDE10AKDM4EMAPTLMNA

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
JP-2023015209-A BIS(AMINO- OR NITROPHENOXY-)BENZENE COMPOUND AND PRODUCTION METHOD THEREOF, AND POLYIMIDE セイカ株式会社 2023-01-31 JP disclosed