SCHEMBL28982012

SCHEMBL28982012

C=C(C)C(=O)OCC.Cc1cc2ccccc2c(CN)c1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CDC25B P30305 4/20 0.35
HTR6 P50406 1/20 0.34
MEN1 O00255 1/20 0.34
CASP1 P29466 1/20 0.34
CDC25A P30304 1/20 0.33
CDC25C P30307 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
Bromide SCHEMBL28981987 0.99 HTR2A (0.41) HTR2AKDM4EKMT2AMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL28982002 0.99 HTR2A (0.41) HTR2AKDM4EKMT2AMAPK1L3MBTL1
SCHEMBL28981988 0.84 HTR2A (0.41) HTR2AKDM4EKMT2AMAPK1L3MBTL1
Bromide SCHEMBL28981993 0.83 HTR2A (0.40) HTR2AKDM4EKMT2AMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL28982001 0.83 HTR2A (0.40) HTR2AKDM4EKMT2AMAPK1L3MBTL1
Anthracene SCHEMBL18662368 0.77 ALDH1A1 (0.51) KDM4EKMT2ANPSR1ALDH1A1MAPT
Naphthalene SCHEMBL27457568 0.77 ALDH1A1 (0.54) KMT2AALDH1A1MAPTHPGDTSHR
SCHEMBL31414083 0.77 KDM4E (0.41) KDM4EKMT2ANPSR1ALDH1A1MAPT
Bromide SCHEMBL28982015 0.76 KDM4E (0.41) KDM4EKMT2ANPSR1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL28981986 0.76 KDM4E (0.41) KDM4EKMT2ANPSR1ALDH1A1MAPT

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-115916695-A Carbon material dispersion liquid 大日精化工业株式会社 2023-04-04 CN disclosed