SCHEMBL21689072

SCHEMBL21689072

N#Cc1cnc2cc(N)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.59
EGFR P00533 2/20 0.53
HTT P42858 3/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 1/20 0.48
F2 P00734 1/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
MAOA P21397 1/20 0.48
DRD1 P21728 1/20 0.48
ACHE P22303 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
KDR P35968 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL1894034 0.86 EGFR (0.53) HPGDSEGFRHTTLMNAMEN1
SCHEMBL14894589 0.79 HPGDS (0.59) HPGDSHTTLMNAKMT2ACDC7
SCHEMBL17460812 0.79 HPGDS (0.64) HPGDSMEN1KMT2AKDM4EALDH1A1
SCHEMBL4378912 0.79 HPGDS (0.59) HPGDSHTTMEN1KMT2ACDC7
SCHEMBL29697466 0.79 HPGDS (0.59) HPGDSHTTMAOACDC7ALDH1A1
SCHEMBL4535704 0.79 HPGDS (0.59) HPGDSHTTMAOACDC7ALDH1A1
SCHEMBL11157078 0.79 HPGDS (0.47) HPGDSEGFRHTTMDM4CDC7
SCHEMBL6183990 0.79 HPGDS (0.59) HPGDSHTTKCNH2CDC7
SCHEMBL18703798 0.78 HPGDS (0.55) HPGDSHTTCDC7ALDH1A1
Aniline SCHEMBL28107592 0.78 ALDH1A1 (0.49) HPGDSHTTCDC7KDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354879-A Benzamide derivative and application thereof 中国药科大学 2023-06-30 CN disclosed
EP-3604326-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM Corporation (JP) 2020-02-05 EP disclosed
CN-108586443-B A kind of drug and preparation method thereof for preventing and treating lung bronchogenic carcinoma 佳木斯大学附属第一医院 2019-11-26 CN disclosed
CN-108586443-A A kind of drug and preparation method thereof of prevention lung bronchogenic carcinoma 佳木斯大学附属第医院 2018-09-28 CN disclosed