SCHEMBL26519967

SCHEMBL26519967

c1ccc(-c2ccc(-c3ccc(N(c4ccc5sc6ccccc6c5c4)c4ccc5c(c4)n4c6ccccc6c6ccc7c8ccccc8n5c7c64)cc3)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.31
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN12 Q05209 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
GPR3 P46089 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIM3 Q86V86 1/20 0.31
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
PTGIR P43119 1/20 0.30
CYP1A2 P05177 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
SCHEMBL26521559 0.94 TSPO (0.31) TSPOPTPN7DUSP3PTPN12PTPN22
SCHEMBL26519699 0.94 ALDH1A1 (0.34) TSPOGPR3ALDH1A1MAPTHPGD
SCHEMBL26519685 0.94 ALDH1A1 (0.34) TSPOGPR3ALDH1A1MAPTHPGD
SCHEMBL26519714 0.94 GPR3 (0.33) PTPN7DUSP3PTPN12PTPN22GPR3
SCHEMBL26519943 0.93 GPR3 (0.36) PTPN7DUSP3PTPN12PTPN22GPR3
SCHEMBL16842834 0.92 GPR3 (0.32) PTPN7DUSP3PTPN12PTPN22GPR3
SCHEMBL16842814 0.92 GPR3 (0.32) PTPN7DUSP3PTPN12PTPN22GPR3
SCHEMBL17612066 0.91 TSPO (0.34) TSPOPTPN7DUSP3PTPN12PTPN22
SCHEMBL16850721 0.91 TSPO (0.34) TSPOPTPN7DUSP3PTPN12PTPN22
SCHEMBL26519942 0.91 ALDH1A1 (0.36) PTPN7DUSP3PTPN12PTPN22GPR3

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
WO-2023185039-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS COMPRISING SAME 陕西莱特光电材料股份有限公司 2023-10-05 WO disclosed