SCHEMBL29635272

SCHEMBL29635272

CCCCC(CC)CN1C(=O)C=C2C1=CC(=O)N2CC(CC)CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 2/20 0.38
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP3A4 P08684 4/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL357100 0.82 MGLL (0.48) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL21694482 0.82 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL14868157 0.76 MGLL (0.55) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL26934761 0.75 CHRM2 (0.42) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL12502653 0.75 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL16265459 0.74 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL29783582 0.73 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL9491373 0.73 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4ETHRBHPGD
Thiophene SCHEMBL28281608 0.73 ALDH1A1 (0.40) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL5272376 0.72 CHRM2 (0.41) ALDH1A1KMT2AKDM4ETHRBHPGD

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-111518121-B Aminobenzofuran diketone-based oligomer, preparation method and application thereof, and organic field effect transistor 陕西理工大学 2022-05-13 CN disclosed