SCHEMBL30719696

SCHEMBL30719696

CN(CC=CC(N)=O)C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LSS P48449 3/20 0.35
ALOX5 P09917 1/20 0.32
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
EGFR P00533 2/20 0.31
LCK P06239 2/20 0.31
JAK3 P52333 2/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL30719715 0.94 LSS (0.39) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL18909608 0.83 KDM4E (0.42) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL14575794 0.83 KDM4E (0.46) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL14575792 0.83 KDM4E (0.46) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL15135714 0.81 KDM4E (0.41) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL14706379 0.81 KDM4E (0.41) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL18909625 0.81 KDM4E (0.41) KDM4EHTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL14576547 0.81 KDM4E (0.45) KDM4EHTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL14576545 0.81 KDM4E (0.45) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL17426071 0.80 KDM4E (0.41) KDM4EHTR2AHTR2CHTR2BSIGMAR1

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-113527215-B Quinazoline compound, preparation method and application thereof 北京赛特明强医药科技有限公司 2023-12-05 CN disclosed