SCHEMBL30279422

SCHEMBL30279422

COC(=O)c1c(Cl)cc2c(c1Cl)CCN(Cc1ccc(Cl)cc1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ PKM P14618 2/20 0.45
▸ LMNA P02545 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ WDR5 P61964 2/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ P2RX7 Q99572 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90B1 P14625 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 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
SCHEMBL10129825 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2PKMLMNAMAPT
SCHEMBL23978723 0.91 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2PKMLMNAMAPT
SCHEMBL30279426 0.91 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2PKMLMNAMAPT
SCHEMBL23978808 0.90 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2PKMLMNAMAPT
SCHEMBL30279365 0.90 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2PKMLMNAMAPT
SCHEMBL30279364 0.90 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2PKMLMNAMAPT
SCHEMBL23978860 0.88 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2PKMLMNAMAPT
SCHEMBL10129824 0.86 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2PKMLMNAKMT2A
SCHEMBL30279449 0.86 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2PKMLMNAKMT2A
SCHEMBL23978743 0.86 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2PKMLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 — — CN disclosed
EP-4142707-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF The Regents of the University of California (US) 2023-03-08 — — EP disclosed
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