SCHEMBL8650629

SCHEMBL8650629

O=C1C(=O)c2ccc3ccccc3c2C=C1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.49
▸ PAX8 Q06710 1/20 0.42
▸ CYP2A6 P11509 3/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP1A2 P05177 5/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PTPN1 P18031 1/20 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
▸ HPGD P15428 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL10959580 0.79 DNMT1 (0.49) DNMT1PAX8CYP2A6ALDH1A1TSHR
SCHEMBL29708071 0.79 DNMT1 (0.49) DNMT1PAX8CYP2A6ALDH1A1TSHR
SCHEMBL28755138 0.79 DNMT1 (0.49) DNMT1PAX8CYP2A6ALDH1A1TSHR
SCHEMBL11790344 0.79 DNMT1 (0.49) DNMT1PAX8CYP2A6ALDH1A1TSHR
SCHEMBL8210093 0.79 DNMT1 (0.49) DNMT1PAX8CYP2A6ALDH1A1TSHR
SCHEMBL29596172 0.76 DNMT1 (0.46) DNMT1PAX8ALDH1A1TSHRHSD17B10
SCHEMBL10408712 0.76 DNMT1 (0.46) DNMT1PAX8CYP2A6ALDH1A1TSHR
SCHEMBL9550498 0.75 DNMT1 (0.45) DNMT1PAX8CYP2A6ALDH1A1TSHR
SCHEMBL28372991 0.75 CDC25A (0.51) DNMT1PAX8CYP2A6ALDH1A1TSHR
SCHEMBL8198269 0.75 DNMT1 (0.45) DNMT1ALDH1A1TSHRHSD17B10TDP1

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
EP-0584570-B1 Epoxy resin composition containing sulphonium salts SIEMENS AG (DE) 1998-09-30 — — EP disclosed
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