SCHEMBL28837027

SCHEMBL28837027

COC(=O)C(N)Cc1c(Cl)cc(OC)c(OC)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ HPGD P15428 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL20541058 1.00 PTPN1 (0.43) PTPN1ALDH1A1HPGDKDM4EGAA
SCHEMBL20837960 0.88 PTPN1 (0.42) PTPN1ALDH1A1HPGDMEN1KMT2A
SCHEMBL15129207 0.88 PTPN1 (0.42) PTPN1ALDH1A1HPGDMEN1KMT2A
SCHEMBL15105447 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EGAAKMT2A
SCHEMBL30611535 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EGAAKMT2A
SCHEMBL23387528 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EGAAKMT2A
SCHEMBL15105436 0.80 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL30611546 0.80 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL23387522 0.80 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL31406980 0.78 ALDH1A1 (0.48) ALDH1A1KDM4E

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-116783212-A Compositions and methods for modulating cancer in non-human mammals 霍夫曼技术有限责任公司 2023-09-19 — — CN claimed
CN-116783212-A Compositions and methods for modulating cancer in non-human mammals 霍夫曼技术有限责任公司 2023-09-19 — — CN disclosed
CN-106232105-A Tyrosine derivative and comprise the compositions of tyrosine derivative 迪美公司 2016-12-14 — — CN disclosed
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