SCHEMBL8356618

SCHEMBL8356618

O=C(OCCCNCc1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ S1PR2 O95136 1/20 0.53
▸ S1PR1 P21453 1/20 0.53
▸ S1PR3 Q99500 1/20 0.53
▸ LPAR2 Q9HBW0 1/20 0.53
▸ MAOA P21397 1/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ CHRM2 P08172 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HDAC3 O15379 2/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ NCOR2 Q9Y618 2/20 0.51
▸ CCR6 P51684 1/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51

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
SCHEMBL30375449 0.90 SMN1; SMN2 (0.62) TDP1SMN1; SMN2S1PR2S1PR1S1PR3
SCHEMBL28553022 0.88 SMN1; SMN2 (0.52) TDP1SMN1; SMN2S1PR2S1PR1S1PR3
SCHEMBL13073866 0.82 TDP1 (0.65) TDP1KMT2ASLC6A2SLC6A3
SCHEMBL28983266 0.81 SMN1; SMN2 (0.54) SMN1; SMN2S1PR2S1PR1S1PR3LPAR2
SCHEMBL5547338 0.80 TDP1 (0.62) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL29049842 0.80 LMNA (0.63) TDP1SMN1; SMN2S1PR2S1PR1S1PR3
SCHEMBL27753481 0.79 TDP1 (0.66) TDP1SMN1; SMN2KMT2ASLC6A2SLC6A3
SCHEMBL416566 0.79 TDP1 (0.91) TDP1SMN1; SMN2KMT2ASLC6A2SLC6A3
SCHEMBL223441 0.79 TDP1 (1.00) TDP1SMN1; SMN2KMT2ASLC6A2SLC6A3
SCHEMBL9377743 0.79 TDP1 (0.70) TDP1SMN1; SMN2KMT2ASLC6A2SLC6A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112759673-B Catalyst for olefin polymerization, catalyst component and application thereof 中国石油化工股份有限公司 2023-02-28 — — CN claimed
CN-112759674-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2023-04-11 — — CN disclosed
CN-112759673-B Catalyst for olefin polymerization, catalyst component and application thereof 中国石油化工股份有限公司 2023-02-28 — — CN disclosed
WO-1999032649-A1 METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL 1,3-AMINOALCOHOLS BIOCATALYTICS, INC. (US) 1999-07-01 — — WO disclosed
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