SCHEMBL29033503

SCHEMBL29033503

C1=C(c2c(-c3ccccc3)[nH]c3ccccc23)CCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.63
HTR2C P28335 3/20 0.63
HTR6 P50406 2/20 0.63
ESR1 P03372 4/20 0.57
ESR2 Q92731 4/20 0.57
CYP19A1 P11511 1/20 0.44
MAT2A P31153 1/20 0.44
PTGS2 P35354 2/20 0.43
PTPRC P08575 1/20 0.42
EGFR P00533 1/20 0.41
ELANE P08246 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAD52 P43351 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14448753 0.80 HTR6 (0.62) HTR2AHTR2CHTR6KDM4EALDH1A1
SCHEMBL5332251 0.78 KDM4E (0.57) HTR2AHTR2CHTR6ELANEKDM4E
SCHEMBL1173877 0.78 KIF11 (0.52) HTR2AHTR2CHTR6MAT2AKDM4E
SCHEMBL5441431 0.78 MEN1 (0.54) HTR2AHTR2CHTR6MAT2AKDM4E
SCHEMBL7959818 0.78 HTR2C (1.00) HTR2AHTR2CHTR6ESR1ESR2
SCHEMBL28773723 0.77 ESR1 (0.54) HTR2AHTR2CHTR6ESR1ESR2
SCHEMBL18787054 0.76 ESR1 (0.87) HTR2AHTR2CHTR6ESR1ESR2
SCHEMBL3395044 0.75 AHR (0.46) HTR2AHTR2CHTR6ESR2ELANE
SCHEMBL29033508 0.74 HTR6 (0.58) HTR2AHTR2CHTR6ESR1ESR2
SCHEMBL29799621 0.74 ESR1 (1.00) HTR2AHTR2CHTR6ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178243-B Preparation method and application of (hetero) aryl fused carbazole compound 西南医科大学 2024-11-22 CN disclosed
CN-116178243-A Preparation method and application of (hetero) aryl fused carbazole compound 西南医科大学 2023-05-30 CN disclosed