SCHEMBL28820480

SCHEMBL28820480

O=c1cc2ccccc2c(Cc2ccccc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ IGFBP3 P17936 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ CDC25B P30305 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ELANE P08246 1/20 0.45
▸ PARP1 P09874 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ XDH P47989 1/20 0.43
▸ GSK3B P49841 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ RECQL P46063 1/20 0.41

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
SCHEMBL7106470 0.74 PARP1 (0.65) ALDH1A1SMN1; SMN2CDC25BKMT2APARP1
SCHEMBL28691266 0.71 KMT2A (0.47) ALDH1A1KMT2AMEN1ELANEHPGD
SCHEMBL16740896 0.68 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2CDC25BKMT2AMEN1
SCHEMBL11577886 0.68 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2CDC25BKMT2AMEN1
SCHEMBL18764639 0.68 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL26361875 0.68 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2CDC25BKMT2AMEN1
SCHEMBL4642432 0.67 HTR2A (0.56) ALDH1A1KMT2AMEN1POLBKDM4E
Hydrochloric Acid SCHEMBL16740892 0.67 ALDH1A1 (0.96) ALDH1A1SMN1; SMN2CDC25BKMT2AMEN1
SCHEMBL6205311 0.67 HNF4A (0.45) ALDH1A1SMN1; SMN2KDM4E
Diphenylmethane SCHEMBL3768558 0.66 KMT2A (0.53) ALDH1A1SMN1; SMN2PDE3BPDE3ACDC25B

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-115927139-A Compositions and methods for preparing (R) -reticuline and precursors thereof 安思雅公司 2023-04-07 — — CN disclosed
CN-115927140-A Compositions and methods for preparing (R) -reticuline and precursors thereof 安思雅公司 2023-04-07 — — CN disclosed
CN-105980563-B Compositions and methods for preparing (R) -reticuline and precursors thereof 安思雅公司 2022-08-30 — — CN disclosed
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