SCHEMBL25640342

SCHEMBL25640342

c1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc3sc4ccc5c6cc7ccccc7cc6oc5c4c3c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.32
▸ ELANE P08246 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ ESR1 P03372 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 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL25640596 0.96 ELANE (0.33) ESR2ELANECYP1A2ESR1ALDH1A1
SCHEMBL25640364 0.96 ESR2 (0.30) ESR2
SCHEMBL25640340 0.92 LMNA (0.33) CYP1A2DUSP3ALDH1A1MAPTHPGD
SCHEMBL25640315 0.92 AHR (0.32) DUSP3ALDH1A1MAPTHPGD
SCHEMBL25640314 0.91 — —
SCHEMBL25640365 0.90 — —
SCHEMBL25640900 0.90 ESR2 (0.33) ESR2ESR1
SCHEMBL25639901 0.90 ESR2 (0.30) ESR2
SCHEMBL22739915 0.89 ESR2 (0.33) ESR2CYP1A2ESR1PTPN7DUSP3
SCHEMBL25640611 0.89 MEN1 (0.30) ESR1ALDH1A1HPGD

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-2023113334-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DIODE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2023-06-22 — — WO disclosed
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