SCHEMBL31174408

SCHEMBL31174408

CCCCCCCCN1c2ccc(Br)cc2Sc2cc(C=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 2/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ PRMT1 Q99873 2/20 0.41
▸ CNR1 P21554 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ NLRP3 Q96P20 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MARK4 Q96L34 2/20 0.35
▸ KDM1A O60341 2/20 0.34
▸ PTGS1 P23219 3/20 0.34
▸ PTGS2 P35354 3/20 0.34
▸ MGLL Q99685 2/20 0.34
▸ FAAH O00519 1/20 0.34
▸ ALDH3A1 P30838 1/20 0.34
▸ ALDH1A3 P47895 1/20 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
SCHEMBL27793882 1.00 PDF (0.41) PDFDRD2HTR2AHTR7HTR6
SCHEMBL27766622 0.92 PDF (0.43) PDFDRD2HTR2AHTR7HTR6
SCHEMBL31174406 0.92 PDF (0.43) PDFDRD2HTR2AHTR7HTR6
SCHEMBL31069659 0.88 DRD2 (0.49) PDFDRD2HTR2AHTR7HTR6
SCHEMBL20288065 0.88 DRD2 (0.49) PDFDRD2HTR2AHTR7HTR6
SCHEMBL8739350 0.88 DRD2 (0.49) PDFDRD2HTR2AHTR7HTR6
SCHEMBL801271 0.88 DRD2 (0.49) PDFDRD2HTR2AHTR7HTR6
SCHEMBL31069660 0.88 DRD2 (0.49) PDFDRD2HTR2AHTR7HTR6
SCHEMBL30501546 0.88 DRD2 (0.49) PDFDRD2HTR2AHTR7HTR6
SCHEMBL28344805 0.88 DRD2 (0.49) PDFDRD2HTR2AHTR7HTR6

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-118666661-A Alpha-hydroxy ketone long wavelength photoinitiator and preparation method and application thereof 北京化工大学 2024-09-20 — — CN disclosed
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