SCHEMBL25640596

SCHEMBL25640596

c1ccc(N(c2ccc3c(c2)sc2ccc4c5cc6ccccc6cc5oc4c23)c2ccc3sc4ccccc4c3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ESR2 Q92731 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ESR1 P03372 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
SCHEMBL25640342 0.96 ESR2 (0.32) ELANEALDH1A1MAPTHPGDRAB9A
SCHEMBL25640611 0.94 MEN1 (0.30) ALDH1A1HPGDESR1
SCHEMBL25640595 0.92 LMNA (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25640364 0.91 ESR2 (0.30) ESR2
SCHEMBL25640340 0.90 LMNA (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25640579 0.89 — —
SCHEMBL22741487 0.89 ESR2 (0.31) ESR2CYP1A2
SCHEMBL25640528 0.88 CYP1A1 (0.32) ELANEALDH1A1MAPTHPGDRAB9A
SCHEMBL25640612 0.88 — —
SCHEMBL25640897 0.88 ESR2 (0.33) ESR2ESR1

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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