SCHEMBL9424969

SCHEMBL9424969

Cc1cc(S(=O)(=O)Cl)cc(C)c1NC(=O)CCc1ccc2c(c1-c1c(C)cc([N+](=O)[O-])cc1C)c(C(=O)O)c1ccccc1[n+]2C.O=S(=O)([O-])F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.35
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
MAPT P10636 1/20 0.30
GAA P10253 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
SCHEMBL9425250 0.82 LMNA (0.36) CDK2LMNAALDH1A1RAB9AMAPT
SCHEMBL9424959 0.80 LMNA (0.34) CDK2LMNAALDH1A1RAB9AMAPT
SCHEMBL9424864 0.72 GLA (0.40) CDK2LMNAALDH1A1RAB9AMAPT
SCHEMBL9425245 0.65 LMNA (0.40) CDK2LMNAALDH1A1RAB9AMAPT
SCHEMBL3904725 0.65 ALOX5 (0.36) CDK2LMNAALDH1A1RAB9AMAPT
SCHEMBL9426554 0.64 ACHE (0.43) ALDH1A1MAPT
SCHEMBL9426552 0.64 ACHE (0.43) ALDH1A1MAPT
SCHEMBL8997349 0.63 ACHE (0.44) ALDH1A1
SCHEMBL8997331 0.63 ACHE (0.44) ALDH1A1
SCHEMBL3899379 0.61 ALOX5 (0.35) LMNAALDH1A1RAB9AMAPT

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