SCHEMBL9424959

SCHEMBL9424959

Cc1cc(S(=O)(=O)Cl)cc(C)c1NC(=O)CCc1ccc2c(c1)c(C(=O)Oc1c(C)cc([N+](=O)[O-])cc1C)c1ccccc1[n+]2C.O=S(=O)([O-])F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.32
ALDH1A1 P00352 5/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
RAB9A P51151 1/20 0.32
CDK2 P24941 1/20 0.30
HPGD P15428 2/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9425245 0.88 LMNA (0.40) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL3904725 0.80 ALOX5 (0.36) LMNAMAPTALDH1A1KMT2ARAB9A
SCHEMBL9424969 0.80 CDK2 (0.35) LMNAMAPTALDH1A1RAB9ACDK2
SCHEMBL9424861 0.73 LMNA (0.42) LMNAMAPTALDH1A1KMT2AHPGD
SCHEMBL3899379 0.73 ALOX5 (0.35) LMNAMAPTALDH1A1KMT2ARAB9A
Hydrochloric Acid SCHEMBL3903344 0.69 KMT2A (0.35) LMNAMAPTALDH1A1KMT2ACDK2
SCHEMBL3907883 0.69 ACHE (0.35) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL3907421 0.69 L3MBTL1 (0.36) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL3899292 0.67 ACHE (0.34) MAPTHTT
SCHEMBL3968959 0.67 MAPT (0.31) MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5290936-A Indicators or labels for antibodies or medical diagnosis LONDON DIAGNOSTICS, INC. (US) 1994-03-01 US disclosed
US-5284951-A Aryl ester, thioester or amide of carboxylic acid substituted heterocyclic ring; quaternary compounds LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
US-5283334-A Side-chain functional chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-02-01 US disclosed