SCHEMBL30002078

SCHEMBL30002078

NC1CCCc2ccc(Cl)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
MEN1 O00255 1/20 0.36
HTR3B O95264 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR3A P46098 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
KDM1A O60341 3/20 0.35
HTR2A P28223 5/20 0.34
HTR2C P28335 5/20 0.34
HTR2B P41595 5/20 0.34

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
SCHEMBL2303573 1.00 IRAK4 (0.37) IRAK4HDAC1HDAC8HDAC6HTR3E
SCHEMBL17768603 0.89 HTR3E (0.38) IRAK4HTR3EMEN1HTR3BCYP1A2
SCHEMBL3864358 0.79 IRAK4 (0.44) IRAK4ACHE
SCHEMBL5054743 0.79 IRAK4 (0.44) IRAK4ACHE
SCHEMBL5053432 0.79 IRAK4 (0.44) IRAK4ACHE
SCHEMBL10287316 0.79 ACHE (0.41) HDAC1HDAC8HDAC6CYP1A2TSHR
SCHEMBL868218 0.79 ACHE (0.41) HDAC1HDAC8HDAC6CYP1A2TSHR
SCHEMBL12993345 0.79 HTR2A (0.36) HDAC1HDAC8HDAC6HTR3EMEN1
SCHEMBL29814887 0.79 ACHE (0.41) HDAC1HDAC8HDAC6CYP1A2TSHR
SCHEMBL12891717 0.79 HRH3 (0.41) HDAC1HDAC8HDAC6HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115368411-B Zinc complex and preparation method thereof 北京服装学院 2024-06-11 CN disclosed
CN-115368546-B Preparation method of biodegradable polyester 北京服装学院 2023-10-24 CN disclosed
CN-115368546-A Preparation method of biodegradable polyester 北京服装学院 2022-11-22 CN disclosed