SCHEMBL28755138

SCHEMBL28755138

O=C1C(=O)c2ccc3ccccc3c2C=C1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.49
▸ PTPN1 P18031 1/20 0.41
▸ PAX8 Q06710 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX12 P18054 1/20 0.38

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
SCHEMBL29708071 1.00 DNMT1 (0.49) DNMT1PTPN1PAX8ALDH1A1HSD17B10
SCHEMBL31052964 0.81 TYMS (0.38) DNMT1CES1
SCHEMBL11790344 0.79 DNMT1 (0.49) DNMT1PTPN1PAX8ALDH1A1HSD17B10
SCHEMBL8210093 0.79 DNMT1 (0.49) DNMT1PTPN1PAX8ALDH1A1HSD17B10
SCHEMBL8650629 0.79 DNMT1 (0.49) DNMT1PTPN1PAX8ALDH1A1HSD17B10
SCHEMBL10959580 0.79 DNMT1 (0.49) DNMT1PTPN1PAX8ALDH1A1HSD17B10
SCHEMBL29596172 0.76 DNMT1 (0.46) DNMT1PTPN1PAX8ALDH1A1HSD17B10
SCHEMBL10408712 0.76 DNMT1 (0.46) DNMT1PTPN1PAX8ALDH1A1HSD17B10
SCHEMBL8198269 0.75 DNMT1 (0.45) DNMT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL9550498 0.75 DNMT1 (0.45) DNMT1PTPN1PAX8ALDH1A1HSD17B10

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-114600285-A Electrochemically mediated gas capture including from low concentration streams 麻省理工学院 2022-06-07 — — CN claimed
CN-114600285-B Electrochemically mediated gas capture including from low concentration streams 麻省理工学院 2025-01-14 — — CN disclosed
CN-114600285-A Electrochemically mediated gas capture including from low concentration streams 麻省理工学院 2022-06-07 — — CN disclosed
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