SCHEMBL9148660

SCHEMBL9148660

CCN1C(=O)c2ccc3c4cccc5c(S(=O)(=O)O)ccc(c6ccc(c2c36)C1=O)c54

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.50
▸ CYP1B1 Q16678 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ATM Q13315 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.50
▸ PKM P14618 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CLTC Q00610 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL9006326 0.91 CYP1B1 (0.61) BRD4CYP1B1ALDH1A1MEN1KMT2A
SCHEMBL9145859 0.88 MEN1 (0.53) BRD4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9139205 0.85 MEN1 (0.51) BRD4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL14527675 0.83 BRD4 (0.71) BRD4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL10062486 0.80 TERT (0.61) CYP1B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9149300 0.79 CYP1B1 (0.70) CYP1B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL25520072 0.76 BRD4 (0.50) BRD4CYP1B1ALDH1A1MEN1KMT2A
SCHEMBL5364036 0.76 CDK5 (0.45) ALDH1A1MEN1KMT2AKDM4EUSP2
SCHEMBL6345888 0.75 BRD4 (0.64) BRD4CYP1B1ALDH1A1MEN1KMT2A
SCHEMBL13817398 0.75 CYP1B1 (0.51) BRD4CYP1B1ALDH1A1MEN1KMT2A

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
US-5472494-A Coloring macromolecules BASF AKTIENGESELLSCHAFT (DE) 1995-12-05 — — US disclosed
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