SCHEMBL9424864

SCHEMBL9424864

Cc1cccc(C)c1NC(=O)CCc1ccc2nc3ccccc3c(C(=O)O)c2c1-c1c(C)cc([N+](=O)[O-])cc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.39
RXFP1 Q9HBX9 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CDK2 P24941 1/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PTGER4 P35408 1/20 0.36
MAPT P10636 1/20 0.36

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 0.77 LMNA (0.36) GLAGAALMNASMN1; SMN2ALDH1A1
SCHEMBL9424861 0.76 LMNA (0.42) GLAGAALMNARXFP1SMN1; SMN2
SCHEMBL3900538 0.76 MAPT (0.45) GLAGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9425135 0.74 HDAC3 (0.47) LMNARXFP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL9424969 0.72 CDK2 (0.35) GAALMNAALDH1A1CDK2RAB9A
SCHEMBL7590081 0.66 PDE10A (0.58) LMNAALDH1A1KMT2APOLBMEN1
SCHEMBL3909189 0.65 MAPT (0.44) GLAGAARXFP1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL9842693 0.65 PDE10A (0.57) LMNAALDH1A1KMT2APOLBMEN1
SCHEMBL9330916 0.64 ALDH1A1 (0.52) GLAGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9424812 0.63 PARP1 (0.46) LMNAL3MBTL1KMT2APOLBMEN1

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