SCHEMBL24820705

SCHEMBL24820705

Cn1cnnc1-c1cc(Cl)ccc1-c1cccc(-c2nc3cc(C=O)ccc3o2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.42
▸ SENP7 Q9BQF6 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ SENP6 Q9GZR1 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HPSE Q9Y251 2/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ NFKB2 Q00653 2/20 0.40
▸ RELA Q04206 2/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ P2RY14 Q15391 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 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
SCHEMBL30153171 1.00 CASP3 (0.42) CASP3SENP7SMN1; SMN2SENP6KDM4E
SCHEMBL24818801 0.89 UTRN (0.38) CASP3SENP7SMN1; SMN2SENP6KDM4E
SCHEMBL30152642 0.85 HPSE (0.56) CASP3SENP7SMN1; SMN2SENP6KDM4E
SCHEMBL24820110 0.84 KDM4E (0.34) CASP3SENP7SMN1; SMN2SENP6KDM4E
SCHEMBL30153187 0.84 P2RY14 (0.45) CASP3SENP7SMN1; SMN2SENP6KDM4E
SCHEMBL24819976 0.84 P2RY14 (0.45) CASP3SENP7SMN1; SMN2SENP6KDM4E
SCHEMBL30153028 0.83 HPSE (0.46) SMN1; SMN2LMNAHPSERAB9AP2RY14
SCHEMBL24819979 0.83 HPSE (0.46) SMN1; SMN2LMNAHPSERAB9AP2RY14
SCHEMBL24820727 0.82 FNTA (0.39) SMN1; SMN2LMNAMAPK1
SCHEMBL30792055 0.82 FNTA (0.39) SMN1; SMN2LMNAMAPK1

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-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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