SCHEMBL23978844

SCHEMBL23978844

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.43
▸ LMNA P02545 6/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ HTT P42858 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ WDR5 P61964 1/20 0.41
▸ DHPS P49366 1/20 0.40
▸ NPY2R P49146 1/20 0.39
▸ AKR1B1 P15121 2/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ CLPP Q16740 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
SCHEMBL30279391 0.91 SMN1; SMN2 (0.46) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL23978742 0.91 SMN1; SMN2 (0.46) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL30279442 0.89 SMN1; SMN2 (0.45) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL23978743 0.89 SMN1; SMN2 (0.45) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL23978860 0.85 SMN1; SMN2 (0.44) SMN1; SMN2LMNAL3MBTL1HTTALDH1A1
SCHEMBL30336855 0.84 ITGB2 (0.40) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL30279428 0.80 DHPS (0.48) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1
SCHEMBL23978727 0.80 DHPS (0.48) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1
SCHEMBL23978798 0.80 P2RX7 (0.48) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1
SCHEMBL30279386 0.80 P2RX7 (0.48) SMN1; SMN2LMNAL3MBTL1NCOA3ALDH1A1

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
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 — — WO disclosed
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