SCHEMBL30279391

SCHEMBL30279391

O=C(O)c1c(Cl)cc2c(c1Cl)CCN(Cc1cccc(F)c1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ LMNA P02545 5/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ HTT P42858 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ DHPS P49366 1/20 0.43
▸ AKR1B1 P15121 2/20 0.42
▸ CLPP Q16740 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ AKR1B10 O60218 1/20 0.41
▸ AKR1A1 P14550 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ WDR5 P61964 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.39
▸ LIPG Q9Y5X9 1/20 0.39
▸ FABP3 P05413 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
SCHEMBL23978742 1.00 SMN1; SMN2 (0.46) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL23978844 0.91 SMN1; SMN2 (0.43) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL23978727 0.90 DHPS (0.48) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1
SCHEMBL30279428 0.90 DHPS (0.48) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1
SCHEMBL23978798 0.89 P2RX7 (0.48) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1
SCHEMBL30279386 0.89 P2RX7 (0.48) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1
SCHEMBL23978743 0.88 SMN1; SMN2 (0.45) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL30279442 0.88 SMN1; SMN2 (0.45) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL30336855 0.85 ITGB2 (0.40) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL10129824 0.85 SMN1; SMN2 (0.45) SMN1; SMN2LMNAL3MBTL1NCOA3HTT

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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